• BALVAS
  • AKADĒMISKĀ UN PROFESIONĀLĀ PIEREDZE
  • GALVENĀS ZINĀTNISKĀS INTERESES
  • Dr. R.I. EGLITIS - ZINĀTNISKIE RAKSTI REFERĒTOS ŽURNĀLOS
  • Dr. R.I. EGLITIS - KONFERENČU ABSTRAKTI
    		•

    Dr. ROBERTA EGLĪŚA ZINĀTNISKĀ BIOGRĀFIJA




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    Dr. ROBERTA EGLĪŚA ZINĀTNISKĀ BIOGRĀFIJA

    Uzvārds: Eglītis

    Vārds: Roberts

    Dzimšanas datums: 1966. gada 1. Februāris

    Adrese: Latvijas Unversitātes

    Cietvielu Fizikas Institūts

    Ķengaraga iela 8, Rīga LV1063, Latvija

    e-mails: reglitis@yahoo.com; Telefons: (6)7187480

    Ģimenes stāvoklis; Šķīries. Meita Elvita Eglīte, dzimusi 1992. gada 27. jūlijā

    2. BALVAS

    Gads: 1984 - 2. vieta Baltijas valstu Fizikas Olimpiādē



    1. IZGLĪTĪBA




    1. 1984 IX - 1991 VI Students Latvijas Unversitātes Fizikas un Matemātikas Fakultātē. Diploms Fizikā.


    1984 X -1986 XI Militārais dienests.

    1991 XI - 1994 VI Doktorants Latvijas Unversitātes Cietvielu Fizikas Institūtā

    1994. gada 10. jūnijā iegūts fizikas Doktora grads (PhD).

    Disertācijas nosaukums: Radiācijas izraisīto Frenkeļa defektu rekombinācijas kinētiku teorētiska

    modelēšana AgBr1-xClx, KBr un KCl kristālos. Vadītājs Prof. E.A. Kotomins

    1. AKADĒMISKĀ UN PROFESIONĀLĀ PIEREDZE

    1984-1991 Latvijas Unversitātes students + indženieris Cietvielu Fizikas Institūtā

    1988-1995 Indženieris Latvijas Unversitātes Cietvielu Fizikas Institūtā

    1995 – tagad Pētnieks un vadošais pētnieks Latvijas Unversitātes Cietvielu Fizikas Institūtā

    1994 IX-1995 IX Postdoka pozīcija Linčopingas Unversitātes Fizikas Fakultātē, Zviedrijā.

    1995 X –1998 VII Postdoka pozīcija Osnabrjūkas Unversitātes Fizikas Fakultātē, Vācijā.

    1998 VII-1999 XII Vieszinātnieks, Materiālzinātņu un Indženierijas Institūtā, Singapūrā

    2000 IV – IV 2006 Zinātniskais assistants Osnabrjūkas Unversitātē, Vācijā (C1 pozīcija)

    2006 X – 2007 V Vieszinātnieks, Sung Kyun Kwan Unversitāte, Suwon, Dienvidkoreja

    2007 VIII–2008 VIII Vieszinātnieks, Fizikas un Astronomijas Fakultātē, Rutgers Unversitātē, ASV


    GRANTI:

    1. Folksvāgena Fonda Grants priekš jaunajiem zinātniekiem (Vācija) (01.04.1998. – 31.03.2000.).

    2. NATO sadarbības grants par tēmu “Defekti perovskītos” (2001 – 2003).

    3. Vācijas zinātnieku savienības Grants PhD studenta pieņemšanai darbā (DFG grant EG 133/2-1)

    (01.02.2001. – 31.01.2004.).

    1. NATO sadarbības Grants par tēmu “Perovskītu virsmas un defekti” (2004 – 2006).

    2. Sadarbības projekts ar Spāniju (DAAD) (1.1.2004. – 1.1.2006.)

    3. Stipendija priekš 12 mēnešu ilga darba Professora D. Vanderbilta grupā, Rutgers Universitātē, ASV (01.08.2007.-31.07.2008). (DFG; GZ: EG 133/11-1; AOBJ: 538704).


    DALĪBNIEKS:

    Amerikas Materiālu zinātnes biedrībā 2001-2003

    Singapūras Materiālu zinātnes biedrībā 2003- 30. jūnijs, 2007
    STUDENTI:

    S. Piskunova Dr. disertācijas vadītājs, DFG projekts EG 133/2-1 (01.02.2001. – 31.01.2004.).

    Shi Hong-Tinga Dr. disertācijas vadītājs (01.03.2004. – 28.02.2007.).

    M. Kadiroglu Diploma darba vadītājs (01.01.2004. – 01.01.2005.).

    A. Gopejenko Mağistra darba vadītājs (01.10.2006 - 05.06.2007).
    PASNIEGŚANA Osnabrjūkas Unversitātē Vācijā:


    1. Ziemas semestris: 1 Octobris, 2000 – 13 Februāris, 2001, Mehānika+Elektrodinamika (Vingrinājumi).

    2. Vasaras semestris: 1 Aprīlis, 2001–13 Jūlijs, 2001, Kvantu Mehānika+Termodinamika (Vingrinājumi).

    3. Ziemas semestris: 1 Oktobris, 2001–13. Februāris, 2002, Mehānika + Elektrodinamika (Vingrinājumi).

    4. Vasaras semestris: 1 Aprīlis, 2002 – 13. Jūlijs, 2002, Teorētiskās Fizikas paplašinājums II (Kvantu Mehānika + Termodinamika, Vingrinājumi).

    5. Ziemas semestris: 1. Octobris, 2002 – 13. Februāris, 2003. Lekcijas: Matemātiskās Fizikas Metodes.

    Vingrinājumi Matemātiskās Fizikas Metodēs.

    1. Vasaras semestris: 1 Aprīlis, 2003 – 13. Jūlijs, 2003. Matemātiskās Fizikas Metodes (Vingrinājumi).

    Lekcijas: Aprēķinu Metodes Materiālzinātnē, I daļa.

    1. Ziemas semestris: 1 Oktobris, 2003 – 7 Februāris, 2004,

    Lekcijas: Aprēķinu Metodes Materiālzinātnē, II daļa. Vingrinājumi Matemātiskās Fizikas Metodēs.

    Vingrinājumi skaitliskajās metodēs fizikā.



    1. Vasaras semestris: 1 Aprīlis, 2004 – 13 Jūlijs, 2004. Lekcijas: Materiālu modelēšana atomārā līmenī ar kompjūtera palīdzību. Ievads Teorētiskajā Fizikā II (Kvantu Mehānika + Termodinamika, Vingrinājumi).

    2. Ziemas semestris: 1. Octobris, 2004 – 13. Februāris,2005. Lekcijas. Ab initio metodes materiālzinātnē, I daļa. Ievads Teorētiskajā Fizikā I (Mehānika + Elektrodinamika, Vingrinājumi).

    3. Vasaras semestris: 1. Aprīlis, 2005 – 13. Jūlijs, 2005. Vingrinājumi: Teorētiskās Fizikas II paplašinājums (Kvantu Mehānika + Termodinamika). Lekcijas: Ab initio metodes materiālzinātnē, II daļa.

    4. Ziemas semestris: 1. Oktobris, 2005 – 13 Februāris, 2006.

    Vingrinājumi: Teorētiskās Fizikas I paplašinājums (Mehānika + Elektrodinamika).

    Lekcijas: Modelēšana materiālzinātnē ar datora palīdzību.


    IELŪGTIE REFERĀTI: Es esmu daudzas reizes ielūgts uzstāties ar ielūgtajiem referātiem starptautiskās konferencēs, to starpā 4 reizes ASV.

    1. R.I.Eglitis, E.A.Kotomin, A.V.Postnikov, N.E.Christensen, G.Borstel, First-principles and

    semiempirical Hartree-Fock calculations for F centers in KNbO3 and Li impurities in KTaO3,- Fifth

    Williamsburg Workshop on First-Principles Calculations for Ferroelectrics, February 1-4, Colonial

    Williamsburg, USA, p. 22, 1998 (Ielūgtais referāts).

    2. R.I. Eglitis, M.R. Philpott and S.V. Izvekov, Computer modelling of corrosion, 2001 MRS Spring

    Meeting, April 16-20, 2001, SanFrancisco, California, USA, p. 331. (Ielūgtais referāts).

    3. R.I. Eglitis, E.A. Kotomin, G. Borstel, and V.S. Vikhnin, Quantum chemical modeling of polarons and

    excitons in ABO3 perovskites, Fundamental Physics of Ferroelectrics, February 2-5, 2003,

    Williamsburg, Virginia, USA, Abstract book, pp. 43. (Ielūgtais referāts).

    4. R.I. Eglitis, and J. Lee, Ab initio calculations of perovskite surfaces, Fundamental Physics of

    Ferroelectrics, Colonial Williamsburg, VA, February 11-14, 2007, Abstract book, pp. 35-36. (Ielūgtais



    referāts).
    VALODU ZINĀŠANAS: Latviešu, Angļu, Vācu, Krievu

    1. GALVENĀS ZINĀTNISKĀS INTERESES


    1. Teorētiskā Cietvielu Fizika

    2. Materiālu modelēšana ar kompjūtera palīdzību

    3) Virsmu fizika

    Manas patreizējās zinātniskās intereses ir lielā mērā saistītas ar ferroelektriķu virsmu ab initio

    aprēķiniem. Piemēram, mēs ar ab initio metožu palīdzību aprēķinājām SrTiO3 (001) virsmu rekonstrukciju diviem atšķirīgiem kristālu šķēlumiem (SrO un TiO2). Śajos aprēķinos tika izmantota Hartrī-Foka metode ar elektronu korrelācijas korrekcijām un blīvuma funkcionāļa teorija ar dažādiem apmaiņas-korrelāciju funkcionāļiem, ieskaitot hibrīdu apmaiņas tehnikas. Rezultāti priekš virsmas enerğijām un atomu nobīdēm, kuri tika iegūti ar šīm atšķirīgajām metodēm ir savstarpēji labā saskaņā. Visas metodes norāda uz ievērojamu ķīmiskās saites kovalences pieaugumu pie materiāla virsmas salīdzinājumā ar tā tilpumu.
    Nesen mēs nodemonstrējām, ka vislabāko saskaņu ar eksperimentu priekš CaF2 optiskās zonas platuma (12.1 eV) var iegūt izmantojot hibrīda Hartrī-Foka un blīvuma funkcionāļa teorijas apmaiņas funkcionāļus izmantojot Bekes trīs parametru metodi, kombinētu ar Perdjū un Wanga nelokālajiem korrelācijas funkcionāļiem (10.96 eV). Mēs veicām aprēķinus arī priekš CaF2 (111), (110) un (100) virsmām. Mūsu aprēķinātās virsmu enerğijas apstiprina, ka visstabilākā ir CaF2 (111) virsma, kas atbilst eksperimentam. Klasisko punkta defektu F centru raksturojums CaF2 kristāla joprojām ir atklāts jautājums. Lai izprastu CaF2 kristāla optiskās īpašības, mēs veicām ab initio aprēķinus ar mērķi noteikt F centra atomāro un elektronisko struktūru, kā arī tā izveidošanās enerğiju.

    Li-jonu baterijas ir ļoti svarīgas sadzīves elektronikas ierīces priekš plaša patēriņa un patreiz tirgū esošās baterijas darbojas galvenokārt 4 Voltu režīmā. Viens bieži diskutēts virziens kā uzlabot šādu bateriju veikumu ir attīstīt baterijas, kuras darbosies 5 Voltu režīmā. Balstoties uz mūsu ab initio aprēķinu rezultātiem, mēs, kā pirmie pasaulē paredzējām bateriju katodu materiālu, kurš darbosies 5 Voltu režīmā.



    PUBLICATIONS: Es esmu publicējis 115 rakstus starptautiskos referētos zinātniskos žurnālos un 115 konferenču tēzes. Mans h-indekss ir 19. Mani raksti ir citēti 1144 reizes. (Trešais augstākais citējamības rādītājs Latvijā laika posmā no 1996-2008).

    Mani 12 visvairāk citētie raksti saskaņā ar “ ISSI Web of Science” ir:

    1. E. Heifets, R.I. Eglitis, E.A. Kotomin, J. Maier, and G. Borstel, Phys. Rev. B 64, 235417 (2001).

    Citēts 111 reizes.

    2. S. Piskunov, E. Heifets, R. I. Eglitis, and G. Borstel, Comput. Mater. Sci. 29, 165 (2004). Citēts 100

    reizes.


    3. R.I. Eglitis, A.V. Postnikov, and G. Borstel, Phys. Rev. B 54, 2421 (1996). Citēts 54 reizes.

    4. R.I. Eglitis, A.V. Postnikov, and G. Borstel, Phys. Rev. B 55, 12976 (1997). Citēts 49 reizes.

    5. R.I. Eglitis, N.E. Christensen, E.A. Kotomin, A.V. Postnikov, and G. Borstel, Phys. Rev. B 56, 8599

    (1997). Citēts 46 reizes.

    6. E. Heifets, R.I. Eglitis, E.A. Kotomin, J. Maier, and G. Borstel, Surface Science 513, 211 (2002).

    Citēts 43 reizes.

    7. S. Piskunov, E.A. Kotomin, E. Heifets, J. Maier, R.I. Eglitis, and G. Borstel, Surface Science 575, 75

    (2005). Citēts 35 reizes.

    8. E.A. Kotomin, R.I. Eglitis, A.V. Postnikov, G. Borstel, and N.E. Christensen, Phys. Rev. B 60, 1,

    (1999) Citēts 29 reizes.

    9. V.S. Vikhnin, R.I. Eglitis, S.E. Kapphan, E.A. Kotomin, and G. Borstel, Europhysics Letters 56, 702,

    2001. Citēts 27 reizes.

    10. E.A. Kotomin, R.I. Eglitis, and A.I. Popov, J. Phys.: Condens. Matter 9, L315, 1997. Citēts 27

    reizes.


    11. R. I. Eglitis, E.A. Kotomin, and G. Borstel, J. Phys.: Condens. Matter 14, 3735 (2002). Citēts 18

    reizes.


    12. R. I. Eglitis, E. A. Kotomin, and G. Borstel, European Physical Journal B 27, 483 (2002). Citēts 18

    reizes.


    Sum of Times Cited: > 1144; h-index: 19


    Title of journal

    Number of

    publications
    IF (2007)


    Title of journal

    Number of

    publications
    IF (2007)


    Phys. Rev. B

    11

    3.172

    Europhysics Letters

    1

    2.206

    Phys.Chem.Chem.Phys.

    1

    3.343

    J.Phys.:Condens. Mat.

    12

    1.886

    Surface Science

    2

    1.855

    Solid State Commun.

    3

    1.535

    J. Electrochem. Soc.

    1

    2.483

    Comput. Mater. Sci.

    10

    1.135

    Eur. Phys. J. B.

    1

    1.356

    Mat. Sci & Eng. B

    1

    1.330

    Ceramics International

    1

    1.360

    J. of Luminescence

    2

    1.611

    Thin Solid Films

    1

    1.693

    Phys. Stat. Sol. (b)

    7

    1.071

    Nucl. Instr. & Meth.

    4

    0.997

    J. of Phys. D-Appl. Ph.

    1

    2.20

    J. of Crystal Growth

    1

    1.950

    Ferroelectrics

    8

    0.427

    Phys. Stat. Sol. (a)

    1

    1.214

    J. of Electroceramics

    1

    0.503





















    1. Dr. R.I. EGLITIS - ZINĀTNISKIE RAKSTI REFERĒTOS ŽURNĀLOS





    1. D. Millers, L. Grigorjeva, E. Kotomin, E. Krivads, and R.I. Eglitis, High excitation density luminescence as probe of mixed silver halides, - Proc. SPIE (Infrared Fiber Optics 3), 1591, pp. 157-165, 1992.

    2. E.A. Kotomin, R.I. Eglitis, and A.I. Popov, Kinetics of correlated annealing of radiation defects in

    ionic solids, - Nucl. Instr. & Meth. in Phys. Res. B, 65, p.512-515, 1992.

    1. E.A. Kotomin, A.I. Popov, and R.I. Eglitis, Correlated annealing of radiation defects in KBr crystals, -

    J. Phys. Cond. Matter, 1992, 4, p. 5901-5910, 1992.

    1. E.A. Kotomin, R.I. Eglitis, and A.I.Popov, Kinetics of correlated diffusion-controlled annealing of

    Frenkel defects in alkali halide crystals, - In: Proceedings of the 12 Int. Conf. on Defects in Insulating

    Materials (World Scientific, Singapore, 1992), 2, p. 1004-1006, 1992.



    1. D.K. Millers, L.G. Grigorjeva, E.A. Kotomin, and R.I. Eglitis, Intrinsic luminescence of mixed silver

    halides under powerful excitation as a probe of solid solution composition,- In: Proceedings of the 12th

    Int. Conf. on Defects in Insulating Materials (World Scientific, Singapore, 1992), 2, p. 1277-1280,

    1992.

    6. E.A. Kotomin, A.I. Popov, and R.I. Eglitis, The kinetics of correlated annealing of F,I centres in KBr



    crystals,- Phys. Stat. Solidi (b), 175, K39-42, 1993.

    1. L.G. Grigorjeva, D.K. Millers, E.A. Kotomin, R.I. Eglitis, Short-lived luminescence of mixed silver

    halides,- J. of Luminescence, 55, p. 243-252, 1993.

    8. E.A. Kotomin, R.I. Eglitis, and A.I. Popov, The kinetics of diffusion - controlled annealing of Frenkel

    defects in alkali halide crystals,- Nucl. Instr. & Meth. in Phys. Res. B 91, p. 83-86, 1994.


    1. E. Kotomin, D. Millers, L.Grigorjeva, and R.Eglitis, The kinetics of excitonic luminescence in mixed

    silver halides,- Proceedings of MRS Spring Meeting, Symposium P, San-Francisko, p. 309-312, 1994.

    10. L.G. Grigorjeva, E.A.Kotomin, D.K.Millers, and R.I.Eglitis, The decay kinetics of excitonic

    luminescence in AgCl crystals, - J.Phys. Cond. Matter 7, p. 1483-1491, 1995.


    1. R.I.Eglitis, A.I.Popov, and E.A.Kotomin, Computer Simulations of I-center Annealing in KCl and

    KBr Crystals: Theoretical Interpretation of Thermostimulated Experiments, - Phys. Stat. Solidi (b)

    190, p. 353, 1995.

    1. A.I.Popov, E.A.Kotomin, and R.I.Eglitis, Theoretical Simulations of I-Center Annealing in KCl Crystals,- Radiation Effects & Defects in Solids, 134, p. 83 - 86, 1995.

    13. L.G. Grigorjeva, D.K. Millers, E.A. Kotomin, R.I. Eglitis, L.I. Lerman, Optical properties of Silver

    Halide Fibers: Extrusion and Aging Effects, - J. Phys. D: Appl. Phys., 29, p. 578 - 583, 1996.



    1. E.A.Kotomin, M.M.Kuklja, R.I.Eglitis, and A.I.Popov, Quantum Chemical Simulations of the Optical Properties and Diffusion of Electron Centers in MgO Crystals, - Materials Science & Engineering B 37, p. 212-214, 1996.

    2. R.I.Eglitis, M.M.Kuklja, E.A.Kotomin, A.Stashans, and A.I.Popov, Semi - empirical simulations of the electron centers in MgO crystal, - Computational Materials Science, 5, p. 298-306, 1996.

    3. R.I.Eglitis, A.V.Postnikov, and G.Borstel, Semiempirical Hartree - Fock calculations for KNbO3, -

    Phys. Rev. B, 54, p. 2421 - 2427, 1996.

    1. R.I.Eglitis, A.V.Postnikov, and G.Borstel, Semiempirical Hartree - Fock calculations for KNbO3 and

    KTaO3,- Proc. SPIE (Proc. of AOMD - 96 Conf., Riga, 1996), 2967, p.144-149, 1997.

    1. R.I.Eglitis, A.V.Postnikov, and G.Borstel, Semiempirical Hartree - Fock calculations for pure and Li

    – doped KTaO3, - Phys. Rev. B, 55, p. 12976 - 12981, 1997.

    1. R.I.Eglitis, N.E.Christensen, E.A.Kotomin, A.V.Postnikov, and G.Borstel, First-principles and semi-

    empirical calculations for F centers in KNbO3 crystal, - Phys. Rev. B, 56, p. 8599 - 8604, 1997.

    1. E.A.Kotomin, R.I.Eglitis, and A.I.Popov, Charge distribution and optical properties of F+ and F

    centers in KNbO3 crystal, - J. Phys. Cond. Matter, 9, L315-L321, 1997.

    1. R.I.Eglitis, and E.A.Kotomin, Calculations of F centers in KNbO3 ferroelectric crystals, - Proc. SPIE

    (Proc. of AOMD-96 Conf., Riga, 1996), 2967, p.150-152, 1997.

    1. E.A.Kotomin, N.E.Christensen, R.I.Eglitis, and G. Borstel, A comparative study of the atomic and

    electronic structure of F centers in ferroelectric KNbO3: ab initio and semi-empirical calculations, -

    Computational Materials Science 10, pp. 339-345, 1998.



    1. R.I.Eglitis, E.A.Kotomin, A.V.Postnikov, N.E.Christensen, and G.Borstel, First-principles and semi-

    empirical Hartree-Fock calculations for F centers in KNbO3 and Li impurities in KTaO3, - Proc. AIP

    (Proceedings of 5th Williamsburg Meeting of Ferroelectric Materials, Williamsburg, USA, 1998), 436,

    pp. 207- , 1998.


    1. R.I.Eglitis, V.S.Vikhnin, P.A.Markovin, G.Borstel, Self-ordered second-component clusters in solid

    solutions on the basis of ferroelectric perovskites: Nb clusters in KTaO3,- Proc. AIP (Proceedings of 5th

    Williamsburg Meeting of Ferroelectric Materials, Williamsburg, USA, 1998), 436, pp. 87- , 1998.



    1. R.I.Eglitis, E.A.Kotomin, and G.Borstel, Semi-Empirical Calculations of Hole Polarons in MgO and

    KNbO3 Crystals,- Phys. Status Solidi (b), 208, 15-20, 1998.

    1. R.I.Eglitis, E.A.Kotomin, G.Borstel, S. Dorfman, Semi-empirical calculations of the Nb-ion positions in doped KTaO3 crystals, - J. Phys. Condens. Matter 10, 6271-6276, 1998.

    2. R.I.Eglitis, A.V. Postnikov, G.Borstel, Semiempirical Hartree-Fock simulations of lattice relaxation

    and effective interactions in Li-doped KTaO3,- Phys. Status Solidi (b), 209, 187-193, 1998.

    1. R.I. Eglitis, E.A. Kotomin, and G. Borstel, Quantum chemical calculations of KTN solid solutions, -

    Solid State Communications, 108, pp. 333-336, 1998.

    1. R.I. Eglitis and E.A. Kotomin, Calculations of hole polaron properties in oxide crystals, Computer

    Modeling & New Technologies 2, pp. 21-24, 1998.

    30. V.S.Vikhnin, R.I.Eglitis, P.A.Markovin, G.Borstel, Self - ordered second-component Nb clusters in

    KNbxTa1-xO3 solid solution and their physical properties,- Phys. Status Solidi (b), 212, pp. 53-63,

    1999.


    1. V.S. Vikhnin, R.I. Eglitis, P.A. Markovin, G. Borstel, Self-ordered clusters of second-component in

    solid solutions on the basis of ferroelectric perovskites: Nb clusters and single Nb ion in KTaO3,

    Inorganic Materials, 35, pp. 823-827, 1999.



    1. P.W.Jacobs, E.A.Kotomin, and R.I.Eglitis, Semi-empirical INDO and shell-model calculations for

    perovskites, Radiation Effects & Defects in Solids, 151, pp. 243-247, 1999.

    33. R.I.Eglitis, E.A.Kotomin, A.V.Postnikov, N.E.Christensen, M.A. Korotin, G.Borstel, Computer

    simulations of defects in perovskite KNbO3 crystals, Ferroelectrics, 229, pp. 69-75, 1999.

    34. R.I.Eglitis, A.V.Postnikov, G.Borstel, Semiempirical Hartree – Fock calculations for single and

    interacting Li impurities in KTaO3, Ferroelectrics, 229, pp. 63-67, 1999.

    35. E.A. Kotomin, R.I. Eglitis, A.V. Postnikov, G. Borstel, and N.E. Christensen, First - principles and

    semi-empirical calculations for bound hole polarons in KNbO3, Phys. Rev. B, 60, pp. 1-5, 1999.

    36. V.S. Vikhnin, H. Liu, W. Jin, S. Kapphan, R.I. Eglitis, and D. Usvyat, Critical effects in optical

    response due to charge transfer vibronic excitons and their structure in perovskite-like systems,

    Journal of Luminescence, 83-84, pp. 109-113, 1999.



    1. S. Izvekov, M.R. Philpott, and R.I. Eglitis, Ab Initio Simulation of Metal Cluster Surrounded by

    Electrolyte, Journal of The Electrochemical Society 147, pp. 2273-2278, 2000.

    1. R.I. Eglitis, S.V. Izvekov, and M.R. Philpott, Metal Dissolution in Aqueous Electrolyte. Semi-

    empirical Hartree-Fock and ab initio MD Calculations, Computational Materials Science 17, pp. 275-

    278, 2000.

    39. P.W. M. Jacobs, E.A. Kotomin, and R.I. Eglitis, Semi-empirical defect calculations for the perovskite

    KNbO3, J. Phys.: Condens. Matter 12, pp. 569-574, 2000.



    1. E.A. Kotomin, R.I. Eglitis, G. Borstel, Quantum Chemical Modelling of point defects in KNbO3 perovskite crystals, Computational Materials Science 17, pp. 290-298, 2000.

    2. N.E. Christensen, E.A. Kotomin, R.I. Eglitis, A.V. Postnikov, G. Borstel, D.L. Novikov, S.Tinte, M.G. Stachiotti, and C.O. Rodriguez, Quantum mechanical modelling of pure and defective KNbO3 perovskites, In: Defects and Surface-Induced Effects in Advanced Perovskites, ed. G. Borstel, NATO Science Series, High Technology, 77, pp. 3-16, 2000.

    3. A.V. Postnikov, G. Borstel, A.I. Poteryaev, and R.I. Eglitis, First - principles simulations of substitutional defects in perovskites, In: Defects and Surface-Induced Effects in Advanced Perovskites, ed. G. Borstel, NATO Science Series, High Technology, 77, pp. 17-26, 2000.

    4. E.A. Kotomin, R.I. Eglitis, G. Borstel, L.G. Grigorjeva, D.K. Millers, and V. Pankratov, Theoretical and experimental study of radiation defects in KNbO3 perovskite crystals, Nuclear Instruments and Methods in Physics Research B, 166-167, pp. 299-304, 2000.

    5. A.V. Postnikov, R.I. Eglitis, V. Caciuc, and G. Borstel, First-Principles Simulations of Ferroelectric

    Oxides, Ferroelectrics, 236, pp. 47-58, 2000.

    1. R.I. Eglitis, E.A. Kotomin, and G. Borstel, Quantum chemical modelling of perovskite solid solutions,

    J. Phys.: Condens. Matter 12, L431-L434, 2000.

    1. E.A. Kotomin, R.I. Eglitis, and G. Borstel, Quantum chemical modelling of electron polarons and excitons in ABO3 perovskites, J. Phys.: Condens. Matter 12, L557-L562, 2000.

    2. G. Borstel, E.A. Kotomin, R.I. Eglitis and E. Heifets, Computer modelling of point defects, impurity self-ordering effects and surfaces in advanced perovskite ferroelectrics, Acta Physica Polonica A 98, pp. 469-481, 2000.

    3. G. Borstel, E.A. Kotomin, R.I. Eglitis and E. Heifets, Computer modeling of defects and surfaces in advanced perovskite ferroelectrics, Jpn. J. Appl. Phys. Vol. 39, S39-1, 24-28, 2000.

    4. G. Borstel, R.I. Eglitis, and E.A. Kotomin, Computer modelling of KTN solid solutions, In: Proceedings of the 2000 12th IEEE International Symposium on Applications of Ferroelectrics, (edited by S.K. Streiffer, B.J. Gibbons, and T.Tsurami), The Institute of Electrical and Electronics Engineers Ultrasonics, Ferroelectrics, and Frequency Control Society (IEEE Catalog Number 00CH37076) 2, 671-674, 2001.

    5. J.T. Devreese, V.M. Fomin, E.P. Pokatilov, E.A. Kotomin, R.I. Eglitis, and Yu.F. Zhukovskii, Theory of bound polarons in oxide compounds, Phys. Rev. B 63, 184304, 2001.

    6. V.S. Vikhnin, R.I. Eglitis, E.A. Kotomin, S. Kapphan and G. Borstel, New Polaronic-Type Excitons in Ferroelectric Oxides: INDO-Calculations and Experimental Manifestation, Mat. Res. Soc. Symp. Proc. Vol. 677, AA4.15.1-AA4.15.6, 2001.

    7. R.I. Eglitis, E.A. Kotomin and G. Borstel, Quantum Chemical Modelling of Polarons and Perovskite Solid Solutions, Computational Materials Science 21, 530-534, 2001.

    8. E. Heifets, R.I. Eglitis, E.A. Kotomin, J. Maier and G. Borstel, Ab initio modelling of surface structure for SrTiO3 perovskite crystals, Physical Review B 64, 235417, 2001.

    9. R.I. Eglitis, E.A. Kotomin and G. Borstel, Computer Modeling of Luminescence in ABO3 Perovskites, Mat. Res. Soc. Symp. Proc. Vol. 667, G1.8.1.-G1.8.6, 2001.

    10. E.Heifets, R.I. Eglitis, E.A. Kotomin, and G. Borstel, First - principles and Semi - Empirical Calculations of Atomic and Electronic Structure for (100) and (110) Perovskite Surfaces, in Fundamental Physics of Ferroelectrics 2001, edited by H. Krakauer, AIP Conference Proceedings Vol. 582, p. 201, AIP, New York, 2001.

    11. V.S. Vikhnin, R.I. Eglitis, E.A. Kotomin, S. Kapphan and G. Borstel, New-Polaronic Type Excitons in Ferroelectric Oxides: Nature and Experimental Manifestation, in Fundamental Physics of Ferroelectrics 2001, edited by H. Krakauer, AIP Conference Proceedings Vol. 582, p. 228, AIP, New York, 2001.

    12. E. Heifets, R.I. Eglitis, E.A. Kotomin and G. Borstel, Calculations of Surface Structure for SrTiO3 Perovskite, Mat. Res. Soc. Symp. Proc. Vol. 672, O9.1.1. – O9.1.6., 2001.

    13. E. Heifets, E.A. Kotomin, R.I. Eglitis and R.E. Cohen, Calculations of Perovskite Surface Relaxation, Mat. Res. Soc. Symp. Proc. Vol. 654, AA5.3.1-AA5.3.6, 2001.

    14. V.S. Vikhnin, R.I. Eglitis, S.E. Kapphan, E.A. Kotomin and G. Borstel, A new phase in ferroelectric oxides: The phase of charge transfer vibronic excitons, Europhysics Letters 56, 702-708, 2001.

    15. R.I. Eglitis, S.V. Izvekov, M.R. Philpott, Modeling Metal Dissolution in Aqueous Electrolyte: Hartree-Fock and Molecular Dynamics Calculations, in: Solid-Liquid Interface Theory, edited by J.W. Halley, ACS Symp. Ser. 789, 51-65, 2001.

    16. E.A. Kotomin, R.I. Eglitis, J. Maier and E. Heifets, Calculations of the atomic and electronic structure for SrTiO3 perovskite thin films, Thin Solid Films 400, 76-80, 2001.

    17. E. Heifets, R.I. Eglitis, E.A. Kotomin, J. Maier, and G. Borstel, First-principles calculations for SrTiO3 (100) surface structure, Surface Science 513, 211-220 (2002).

    18. R.I. Eglitis and M.R. Philpott, Computer Modelling of Metal Dissolution in the Presence of Aqueous Electrolyte, CHIN. PHYS. LETT. 19, 389, 2002.

    19. V.S. Vikhnin, R.I. Eglitis, and S. Kapphan, Charge Transfer Vibronic Excitons in Incipient Ferroelectrics and Related Problems, Ferroelectrics 265, 177-187, 2002.

    20. R.I. Eglitis, E.A. Kotomin and G. Borstel, Quantum chemical modelling of electron polarons and charge - transfer vibronic excitons in BaTiO3 perovskite crystals, J. Phys.: Condens. Matter 14, 3735-3741, 2002.

    21. R.I. Eglitis, E.A. Kotomin, and G. Borstel, Quantum chemical modelling of “green” luminescence in ABO3 perovskites, The European Physical Journal B 27, 483-486 (2002).

    22. E. Heifets, R.I. Eglitis, E.A. Kotomin and G. Borstel, Ab initio calculations for SrTiO3 (100) Surface Structure, AIP Conference Proceedings 626, pp. 285-293, 2002.

    23. R.I. Eglitis, E. Heifets, E.A. Kotomin, and G. Borstel, Calculations of Atomic and Electronic Structure for (100) Surfaces of SrTiO3 Perovskite, Mat. Res. Soc. Symp. Proc. Vol. 718, D10.16.1, 2002.

    24. V.S. Vikhnin, R.I. Eglitis, S.E. Kapphan, G. Borstel and E.A. Kotomin, Polaronic-Type Excitons in Ferroelectric Oxides: Microscopic Calculations and Experimental Manifestation, Phys. Rev. B 65, 104304, 2002.

    25. G. Borstel, R.I. Eglitis, E.A. Kotomin and E.Heifets, Modeling of Defects and Surfaces in Perovskite Ferroelectrics, Journal of Crystal Growth 237-239, 687-693 (2002).

    26. R.I. Eglitis, E.A. Kotomin, G. Borstel and V.S. Vikhnin, Computer Modeling of Point Defects in Perovskite Crystals, Ferroelectrics 268, pp. 59-64, 2002.

    27. E.A. Kotomin, J. Maier, R.I. Eglitis and G. Borstel, Calculations of Radiation-Induced Point Defects, Polarons and Excitons in Ferroelectric Perovskites, Nuclear Instruments and Methods in Physics Research B 191, 22-26, 2002.

    28. R.I. Eglitis, E.A. Kotomin and G. Borstel, Calculations of the electronic and atomic structure and diffusion of point defects in KNbO3 perovskite crystals and relevant KTN solid solutions, Mat. Res. Soc. Symp. Proc. Vol. 718, D11.11.1, 2002.

    29. R.I. Eglitis, V.S. Vikhnin, E.A. Kotomin, S.E. Kapphan and G. Borstel, Theoretical Prediction and Experimental Confirmation of Charge Transfer Vibronic Excitons and Their Phase in ABO3 Perovskite Crystals, Mat. Res. Soc. Symp. Proc. Vol. 718, D10.32.1, 2002.

    30. R.A. Evarestov, R.I. Eglitis, S. Piskunov, E.A. Kotomin and G. Borstel, Large – Scale ab initio Simulations of Fe-doped SrTiO3 Perovskites, Mat. Res. Soc. Symp. Proc. Vol. 731, pp. 237-242, 2002.

    31. R.I. Eglitis, E.A. Kotomin, V.A. Trepakov, S.E. Kapphan and G. Borstel, Quantum chemical modelling of electron polarons and “green” luminescence in PbTiO3 perovskite crystals, J. Phys.: Condens. Matter 14, L647-L653, 2002.

    32. E.A. Kotomin, E. Heifets, R.I. Eglitis, J. Maier and G. Borstel, Ab initio modelling of the atomic and electronic structure of SrTiO3 (100) surface structure, Computer Modelling & New Technologies 6, pp. 7-20, 2002.

    33. R.I. Eglitis, D. Fuks, S. Dorfman, E.A. Kotomin, and G. Borstel, Large-scale modeling of the phase transitions in KTa1-xNbxO3 perovskite solid solutions, Materials Science in Semiconductor Processing, 5, pp. 153-157, 2002.

    34. R.I. Eglitis, E. Heifets, E.A. Kotomin, J. Maier, and G. Borstel, First - principles calculations of perovskite thin films, Materials Science in Semiconductor Processing, 5, pp. 129-134, 2002.

    35. R.I. Eglitis, V.A. Trepakov, S.E. Kapphan, G. Borstel, Large – scale computer modelling of Li impurities in KTaO3 and K1-xLixTa1-yNbyO3 perovskite solid solutions, Crystal Engineering 5, pp. 227-233, 2002.

    36. R.I. Eglitis, E.A. Kotomin, G. Borstel, S.E. Kapphan and V.S. Vikhnin, Semi-empirical calculations of the electronic and atomic structure of polarons and excitons in ABO3 perovskite crystals, Computational Materials Science 27, pp. 81-86, 2003.

    37. G. Borstel, R.I. Eglitis, E.A. Kotomin, and E. Heifets, Modelling of defects and surfaces in perovskite ferroelectrics, Phys. Stat. Sol. (b) 236, pp. 253-264, 2003.

    38. R.I. Eglitis, V.A. Trepakov, S.E. Kapphan, and G.Borstel, Quantum Chemical modeling of green luminescence in self-activated perovskite-type oxides, Solid State Communications 126, pp. 301-304, 2003.

    39. V.S. Vikhnin, S.E. Kapphan, I.L. Kislova, R.I. Eglitis, and P.A. Markovin, Manifestation of polaronic states in ferroelectric relaxor PMN, Ferroelectrics 285, pp. 291-302, 2003.

    40. R.I. Eglitis, E.A. Kotomin, G. Borstel, and V.S. Vikhnin, Quantum chemical modelling of electron and hole polarons in ABO3 perovskites, Fundamental Physics of Ferroelectrics 2003, Williamsburg, Virginia (USA), 2-5 February 2003, AIP Conference Proceedings 677, pp. 204 – 209, 2003.

    41. E. Heifets, R.I. Eglitis, E.A. Kotomin, W.A. Goddard III, and G. Borstel, Calculations of Perovskite Polar Surface Structure, Fundamental Physics of Ferroelectrics 2003, Williamsburg, Virginia (USA), 2-5 February 2003, AIP Conference Proceedings 677, pp. 210 – 219, 2003.

    42. R.I. Eglitis, D. Fuks, S. Dorfman, E.A. Kotomin, G. Borstel, and V.A. Trepakov, Quantum chemical modeling of phase transitions in perovskite solid solutions, Fundamental Physics of Ferroelectrics 2003, Williamsburg, Virginia (USA), 2-5 February 2003, AIP Conference Proceedings 677, pp. 231– 240, 2003.

    43. S. Piskunov, R.A. Evarestov, E.A. Kotomin, R.I. Eglitis, and G. Borstel, Large-Scale First-Principles Calculations of Fe-doped SrTiO3, Proc. SPIE, Vol. 5122, “Advanced optical materials”, (AOMD3, Riga, August, 2002), pp. 276-284, 2003.

    44. G. Borstel, R.I. Eglitis, E.A. Kotomin, and E. Heifets, Computer modeling of point defects, polarons, excitons and surfaces in perovskite ferroelectrics, Proc. SPIE, Vol. 5122, “Advanced optical materials”, (AOMD3, Riga, August, 2002), pp. 258-268, 2003.

    45. E.A. Kotomin, R.I. Eglitis, G. Borstel and P.W.M. Jacobs, Modeling of Point Defects, Polarons and Excitons in Ferroelectric Perovskites, NATO Sciences Series, Sub Series III, Computer and Systems Sciences, Vol. 187, pp. 291-307, 2003.

    46. S. Piskunov, E. Heifets, R.I. Eglitis, and G. Borstel, Bulk properties and electronic structure of SrTiO3, BaTiO3, PbTiO3 perovskites: an ab initio HF/DFT study, Computational Materials Science 29, pp. 165-178, 2004.

    47. E. Heifets, W.A. Goddard III, E.A. Kotomin, R.I. Eglitis, and G. Borstel, Ab initio calculations of the SrTiO3 (110) polar surface, Phys. Rev. B 69, 035408, 2004.

    48. L. Grigorjeva, D. Millers, V. Pankratov, R.T. Williams, R.I. Eglitis, E.A. Kotomin, and G. Borstel, Optical Properties of Polarons and Excitons in KNbO3, Solid State Communications 129, pp. 691-696, 2004.

    49. R.I. Eglitis, E.A. Kotomin, and G. Borstel, Large-Scale Computer Modelling of Point Defects, Polarons and Perovskite Solid Solutions, Diffusion and Defect Data Part A Defect and Diffusion Forum, Vol. 226/228, pp. 169-180, 2004.

    50. V.S. Vikhnin, R.I. Eglitis, and G. Borstel, Polaronic Excitons in Ferroelectric Oxides: Phenomenological and Microscopical Theory, and Manifestation of Polaronic Exciton Phase, Ferroelectrics 299, pp. 21-33, 2004.

    51. V.S. Vikhnin, S. Kapphan, and R.I. Eglitis, Localized Polarized Exciton and Active Impurity Problems in Incipient and Relaxor Ferroelectrics, Ferroelectrics 299, pp. 11-20, 2004.

    52. R.I. Eglitis, E.A. Kotomin, and G. Borstel, Computer modelling of point defects in ABO3 perovskites and MgO, Computational Materials Science 30, pp. 376-382, 2004.

    53. R.I. Eglitis, S. Piskunov, E.Heifets, E.A. Kotomin, and G. Borstel, Ab initio simulations of SrTiO3, BaTiO3 and PbTiO3 (001) Surfaces, Ceramics International 30, pp. 1989 -1992, 2004.

    54. S. Piskunov, E.A. Kotomin, E. Heifets, J. Maier, R.I. Eglitis, and G. Borstel, Hybrid DFT calculations of the atomic and electronic structure for ABO3 perovskite (001) surfaces, Surface Science 575, pp. 75-88, 2005.

    55. R.I. Eglitis and G. Borstel, Towards a practical rechargeable 5 V Li ion battery, phys. stat. sol. (a) 202, pp. R13-R15, 2005.

    56. R.I. Eglitis, E.A. Kotomin, and G. Borstel, Large scale computer modelling of point defects in ABO3 perovskites, phys. stat. sol. (c) 2, pp. 113-119, 2005.

    57. V.S. Vikhnin, S.E. Kapphan, R.I. Eglitis, and R.M. Pirc, Charge transfer vibronic excitons, phys. stat. sol. (c) 2, pp. 120-123, 2005.

    58. E.M. Fernandez, R.I. Eglitis, G. Borstel, and L.C. Balbas, Adsorption and dissociacion of water on alumina: a first principles study, Phys. Stat. Sol. (b) 242, pp. 807-809 (2005).

    59. H. Shi, R.I. Eglitis, and G. Borstel, Ab initio calculations of the CaF2 electronic structure and F centers, Phys. Rev. B 72, 045109 (2005).

    60. H. Shi, R.I. Eglitis, and G. Borstel, Ab initio calculations of the BaF2 bulk and surface F centres, J. Phys.: Cond. Matter 18, 8367 – 8381 (2006).

    61. R.I. Eglitis, G. Borstel, E. Heifets, S. Piskunov, and E. Kotomin, Ab initio calculations of the BaTiO3 (100) and (110) surfaces, Journal of Electroceramics 16, 289-292 (2006).

    62. R.I. Eglitis, H. Shi, and G. Borstel, First-principles calculations of the CaF2 (111), (110) and (100) surface electronic and band structure, Surface Review and Letters 13, 149-154 (2006).

    63. E.M. Fernandez, R.I. Eglitis, G. Borstel, and L.C. Balbas, Ab initio calculations of H2O and O2 adsorption on Al2O3 substrates, Computational Materials Science 39, 587 (2007).

    64. H. Shi, R.I. Eglitis, and G. Borstel, Ab initio calculations of the oxygen-vacancy dipoles and M centers in CaF2, Computational Materials Science 39, 430-436 (2007).

    65. H. Shi, R.I. Eglitis, and G. Borstel, Ab initio calculations of the hydrogen centres in CaF2 and BaF2, J. Phys.: Condens. Matter 19, 056007 (2007).

    66. R.I. Eglitis, First principles calculations of BaZrO3 (001) and (011) surfaces, J. Phys.: Condens. Matter 19, 356004 (2007).

    67. R.I. Eglitis, and David Vanderbilt, Ab initio calculations of BaTiO3 and PbTiO3 (001) and (011) surface structures, Phys. Rev. B 76, 155439 (2007).

    68. E.A. Kotomin, S. Piskunov, Y.F. Zhukovskii, R.I. Eglitis, A. Gopejenko, and D.E. Ellis, The electronic properties of an oxygen vacancy at ZrO2-terminated (001) surfaces of cubic PbZrO3: Computer simulations from first principles, Physical Chemistry and Chemical Physics 10, 4258-4263 (2008).

    69. R.I. Eglitis, and D. Vanderbilt, First-principles, calculations of SrTiO3 (001) and (011) surfaces, Phys. Rev. B 77, 195408 (2008).


    2. Dr. R.I. EGLITIS - KONFERENČU ABSTRAKTI





    1. E.A. Kotomin, R.I. Eglitis, and A.I. Popov, Kinetics of correlated annealing of Frenkel defects in ionic crystals, - Abstracts of Conf. on Quantum Chemistry of Solids, Riga, 1990, p. 301.

    2. E.A. Kotomin., R.I. Eglitis, and A.I.Popov, Kinetics of correlated annealing of radiation defects of ionic

    crystals, - In: Abstracts of the 6th Intern. Conference Radiation Effects in Insulators, Weimar, Germany,

    1991, p. 165.

    3. E.A. Kotomin, R.I. Eglitis, and L.G. Grigorjeva, Theoretical model for high excitation density

    luminescence in mixed AgBr1-xClx crystals - Abstracts of the 7th Conference of Institute of Solid State

    Physics University of Latvia, 1991, p. 54



    1. R.I. Eglitis, L.G. Grigorjeva, E.A. Kotomin, and D.K. Millers, Diffusion controlled luminescence

    model for AgBr1-xClx crystals and optical fibers, - Abstracts of 8th Conference of Institute of

    Solid State Physics, University of Latvia, 1992, p.41



    1. E.A. Kotomin, R.I. Eglitis, and A.I. Popov, Kinetics of correlated diffusion-controlled annealing of

    Frenkel defects in alkali halide crystals, - Abstracts of Intern. Conf. On Def. In Insul.Mater

    (Nordkirchen, Germany, 1992), p. 277.



    1. A.I. Popov, E.A. Kotomin, and R.I. Eglitis, I - Center Annealing and Their Role in Low - Temperature TSL in Alkali Halides, - International Workshop on Electronic Excitations at Surfaces of Halides, May 3-5, 1993, Krakow, Poland.

    2. E.Kotomin, R.Eglitis, and A.Popov , The kinetics of diffusion - controlled annealing of Frenkel defects in alkali halide crystals - Sept. 6-10, 1993, Nagoya, Japan, p. 120

    3. R.I. Eglitis, E.A. Kotomin, D.K. Millers, L.G. Grigorjeva, Modeling of recombination luminescence

    kinetics in silver halides - Abstracts of 10th Conference of Institute of Solid State Physics University of

    Latvia, 1994, p.10.



    1. E.Kotomin, D.Millers, L.Grigorjeva, and R.I.Eglitis, The kinetics of Excitonic Luminescence in Mixed Silver Halides,- MRS Spring Meeting, San-Francisko, California, 1994, p. 328.

    2. R.Eglitis, E.Kotomin, D.Millers and L.Grigorjeva, Computer simulations of correlated primary radiation defects in ionic solids, - Daugavpils, 1994, p. 19.

    3. R.Eglitis, E.Kotomin, and A.Popov, Theoretical simulations of I-center annealing in KCl and KBr

    crystals; July 5th - 8th, 1994 - Lyon, France, p. 88

    1. M.M. Kuklja, E.A. Kotomin, R.I. Eglitis, Quantum chemical simulations of the optical properties and

    diffusion of electron centers in MgO crystals,- NATO ASI, Lucca, Ilcciocco, Itally, 10-23 September,

    1995.


    1. E.A.Kotomin, M.M.Kuklja, R.I.Eglitis, A.Stashans, A.I.Popov, The electronic and atomic structure of

    single and dimer electronic defects in MgO and corundum crystals, - VIII International Conference

    on Radiation effects in Insulators, (REI 8), Sept. 11-15, 1995, Catania, Italy, p.196.



    1. R.I.Eglitis, E.A.Kotomin, J.T.Devreese, and A.I.Popov, The atomic and electronic structure of bound

    hole polarons and bipolarons in MgO crystals, -13th International Conference on Defects in

    Insulating Materials, July 15-19, 1996, Wake Forest University, Winston-Salem, NC, USA, p. 237

    (Invited talk).


    1. P.W.M. Jacobs, E.A.Kotomin, M.M.Kuklja, R.I.Eglitis, A. Stashans and A.I.Popov, Semi-empirical

    calculations of luminescence properties of point defects in MgO and corundum crystals, -

    International Conference on Luminescence and Optical Spectroscopy of Condensed Matter,

    August 18-23, 1996, Prague, Czech Republik, P8-162.


    1. R.I.Eglitis, and E.A.Kotomin, Calculations of F centers in KNbO3 Ferroelectric crystals - Abstr. of

    International Conference on Advanced Optical Materials and Devices, 26-29 August, Riga, Latvia,

    1996.


    17. R.I.Eglitis, A.V. Postnikov, and G. Borstel, Semiempirical Hartree-Fock calculations for KNbO3 and

    KTaO3,- Abstr. International Conference on Advanced Optical Materials and Devices, 26-29 August,

    Riga, Latvia, 1996.

    18. E. A. Kotomin, M.M. Kuklja, R.I. Eglitis, and L.N. Kantorovich, Semiempirical Simulations of

    Defects in MgO, MRS Spring Meeting, April 8-11, 1996, Sanfrancisco, California.


    1. A.I.Popov, R.I.Eglitis, E.A.Kotomin, L.G.Grigorjeva, and D.K.Millers, Experimental and Theoretical Study of KNbO3 Crystals: Workshop of the Oxide Crystals Network, 25-28 September 1996, Balatonfured, Hungary, P30.

    2. E.Kotomin, R.Eglitis, Quantum chemical simulations of the perovskite surface relaxation and optical

    properties F centers therein,-13th Scientific Meeting of Institute of Solid State Physics, University of

    Latvia, Riga, p.49, 1997.



    1. E.A.Kotomin, N.E.Christensen, R.I.Eglitis, A comparative study of the atomic andelectronic structure

    of F centers in oxide materials: ab initio and semi-empirical calculations,- Abstr. of Symp. D of the E-

    MRS meeting, France, June, 1997.



    1. A.V.Postnikov, R.I.Eglitis, and G.Borstel, Interacting Li impurities in KTaO3,- Workshop of the first

    principles theory of ferroelectric materials, CECAM, Lyon, France, July 3-5, 1997.

    1. R.I.Eglitis, A.V.Postnikov, and G.Borstel, Semiempirical Hartree-Fock calculations for KNbO3, pure

    and Li-doped KTaO3. Collective effects in a random-site electric dipole system,- Workshop at IFA,

    Quantum Theory of Solids 4, November 12 -15, 1997, Aarhus, Denmark, p. 34, 1997.



    1. R.I.Eglitis, N.E.Christensen, E.A.Kotomin, A.V.Postnikov and G.Borstel, First principles and semiempirical Hartree-Fock calculations for F centers in KNbO3 - Workshop at IFA, Quantum Theory of Solids 4, November 12 - 15, 1997, Aarhus, Denmark, p. 35, 1997.

    2. E.A. Kotomin and R. Eglitis, Charge distribution and optical properties of F+ and F centers in KNbO3 ferroelectric crystals, International Conference Defects in Semiconductors, ICDS, Aveiro, Portugal, July 21-25, 1997.

    3. E.A.Kotomin, R.I.Eglitis, and N.E.Christensen, Calculations of the optical properties of point defects

    in KNbO3 ferroelectric perovskites, - 14th Scientific Meeting of Institute of Solid State Physics,

    University of Latvia, Riga, p. 26, 1998



    1. R.I.Eglitis, E.A.Kotomin, A.V.Postnikov, N.E.Christensen, G.Borstel, First-principles and

    semiempirical Hartree - Fock calculations for F centers in KNbO3 and Li impurities in KTaO3,- Fifth

    Williamsburg Workshop on First – Principles Calculations for Ferroelectrics, February 1-4, Colonial

    Williamsburg, USA, p. 22, 1998 (Invited Talk).


    1. R.I.Eglitis, V.S.Vikhnin, P.A.Markovin, and G.Borstel, Self-ordered clusters of second-component in

    solid solutions on the basis of ferroelectric perovskites: Nb-clusters in KTaO3 - Fifth Williamsburg

    Workshop on First-Principles Calculations for Ferroelectrics, February 1-4, Colonial

    Williamsburg, USA, p. 23, 1998


    1. R.I.Eglitis, F -centers in KNbO3 and Li impurities in KTaO3,- Symposium on the Quantum Mechanical Basis for Materials Properties, February 19-21, Hjortviken, Hindas, Sweden, p. 2, 1998

    2. P.W.M. Jacobs, E.A.Kotomin, and R.I.Eglitis, Temperature-dependant Shell Model for Perovskites, EURODIM, Keele, July 13, 1998.

    3. V.S.Vikhnin, R.I.Eglitis, P.A.Markovin, G.Borstel, Self-ordered clusters of second-component in solid

    solutions on the basis of ferroelectric perovskites: Nb clusters and single Nb ion in KTaO3,- Nucleation

    and Non-Linear Problems in the First - order Phase Transitions (NPT`98), June 29 - July 3, St.

    Petersburg, Russia, 1998.


    1. R.I.Eglitis, E.A.Kotomin, A.V.Postnikov, N.E.Christensen, M. A. Korotin, and G.Borstel, Computer

    simulations of defects in ferroelectric perovskite KNbO3 crystals, - 2nd Asian meeting on ferroelectrics,

    December 1998, Singapore, p. 376, 1998.

    33. R.I.Eglitis, A.V.Postnikov, and G.Borstel, Semiempirical Hartree-Fock calculations for single and

    interacting Li impurities in KTaO3, - 2nd Asian meeting on ferroelectrics, December 1998, Singapore, p.

    175, 1998.

    34. R. I.Eglitis, S.V. Izvekov, M.R. Philpott, Metal Dissolution in the Presence of Aqueous Electrolyte.

    Semi-Empirical Quantum Electronic Structure Calculations, Electrochemical Society 195th Meeting-

    Seattle, Washington, May 2-6, 1999.



    1. S.V. Izvekov, R.I.Eglitis, and M.R. Philpott, Ab initio Simulation of Metal Cluster Surrounded by

    Electrolyte, Electrochemical Society 195th Meeting-Seattle, Washington, May 2-6, 1999.

    1. R.I. Eglitis, S.V. Izvekov, and M.R. Philpott, Metal dissolution/deposition in presence of aqueous

    electrolyte. Semi-empirical Hartree-Fock and ab initio MD calculations, E-MRS Spring Meeting,

    Strasbourg, France, 1999.



    1. E.A. Kotomin, R.I. Eglitis, and G. Borstel, Quantum Chemical Modelling of Point Defects in KNbO3 perovskite crystals, E-MRS Spring Meeting, Strasbourg, France, 1999. (Invited Talk)

    2. N.E. Christensen, E.A. Kotomin, R.I. Eglitis, A.V. Postnikov, G. Borstel, D.L. Novikov, S. Tinte, M.G. Stachiotti and C.O. Rodriguez, Quantum mechanical modelling of pure and defective KNbO3 perovskites, NATO workshop, August 23-25, Riga, Latvia.

    3. E.A. Kotomin, R.I. Eglitis, G. Borstel, L.G. Grigorjeva, D.K. Millers, and V. Pankratov, Theoretical and experimental study of radiation defects in KNbO3 perovskite crystals, X International Conference on Radiation Effects in Insulators (REI 10), Jena, July 1999.

    4. V.S. Vikhnin, H.Liu, W. Jin, S. Kapphan, R.I. Eglitis, and D. Usvyat, Critical effects in optical response due to charge transfer vibronic excitons and their structure in perovskite-like systems, DPC’ 99, May 1999, Humacao, Puerto Rico, USA, 1999.

    5. A.V. Postnikov, R.I. Eglitis, V. Caciuc, and G. Borstel, 9th European Meeting on Ferroelectricity in Prague, July 12-16, 1999 (Invited Talk).

    6. S.V. Izvekov, R.I. Eglitis, I.Yu. Goliney, M.R. Philpott, Ab initio MD and INDO Simulations of Metal/Aqueous Electrolyte Interface, Nano and Microelectronics of Solids for Emerging Science and Technology, Palo Alto, CA, USA, October 7-8, 1999.

    7. G. Borstel, E.A. Kotomin, R.I. Eglitis, and E. Heifets, Computer modelling of defects and surfaces in advanced perovskite ferroelectrics, ICTM – 12 International Conference, Taiwan, September 27 – October 1, 1999, Taiwan (Invited talk).

    8. R.I. Eglitis, S.V. Izvekov, and M.R. Philpott, Modelling Metal Dissolution in Aqueous Electrolyte, Hartree-Fock and Molecular Dynamics Calculations, New Orlean, LA, August 22-26, 1999 (Invited Talk).

    9. R.I. Eglitis, E.A. Kotomin, G. Borstel and V.S. Vikhnin, Quantum chemical medelling of defects in KNbO3 and self - ordering effects in KTN, 16th Conference of Institute of Solid State Physics, University of Latvia, February 14-16, Riga, Latvia, 2000.

    10. R.I. Eglitis, A.V. Postnikov, E.A. Kotomin and G. Borstel, Semi-empirical Hartree-Fock simulations of phase transitions in KNbO3 and interacting Li impurities in KTaO3, 16th Conference of Institute of Solid State Physics, University of Latvia, February 14-16, Riga, Latvia, 2000.

    11. R.I. Eglitis, M.R. Philpott, and H.J. Lindner, Towards 5 V rechargeable Li-ion battery, MRS Spring Meeting, SanFrancisco, California, April 24-28, p. 241, 2000.

    12. R.I. Eglitis, E.A. Kotomin, and G. Borstel, Quantum chemical modeling of perovskite solid solutions, MRS Spring Meeting, SanFrancisco, California, April 24-28, p. 248, 2000.

    13. R.I. Eglitis, M.R. Philpott, and S.V. Izvekov, Computer modelling of corrosion processes. Molecular Dynamics and Hartree-Fock calculations, MRS Spring Meeting, SanFrancisco, California, April 24-28, p. 155, 2000.

    14. R.I. Eglitis, E.A. Kotomin, and G. Borstel, Quantum chemical modelling of point defects and perovskite solid solutions, Challenges in Predictive Process Simulation, Wandlitz, Germany, May 14-18, p. 29, 2000.

    15. G. Borstel, E.A. Kotomin, R.I. Eglitis, and E.Heifets, Computer modeling of point defects, impurity self-ordering effects and surfaces in perovskite ferroelectrics, International Conference in Condensed Matter Physics, Ustron-Jaszowiec, Poland, May 17-20, p. 3, 2000. (Invited Talk)

    16. R.I. Eglitis, E.A. Kotomin, A.V. Postnikov, and G. Borstel, Computer Modeling of Impurities in Perovskites, International Workshop on Microstructure of Oxide Materials, Osnabrück, Germany, June 13-15, p. 13, 2000. (Invited talk).

    17. G. Borstel, R.I. Eglitis, E.A. Kotomin, Computer modeling of KTN solid solutions, 12th IEEE International Symposium on the Application of Ferroelectrics, ISAF 2000, Hilton Hawaiian Village, Honolulu, Hawaii, USA, July 30 – August 2, 2000.

    18. R.I. Eglitis, E.A. Kotomin and G. Borstel, Computer modelling of ABO3 perovskites, Psik-2000 Conference, Ab initio calculations of complex processes in Materials, Schwäbisch Gmünd, August 22-26, p. 126, 2000.

    19. V.S. Vikhnin, R.I. Eglitis and S.E. Kapphan, Charge transfer vibronic exciton structure and experimental manifestations in ferroelectric oxides, 3rd International Seminar on Ferroelastics Physics, ISFP 2000, Voronezh, September 11-14, 2000.

    20. M.R. Philpott, S. Izvekov and R.I. Eglitis, Ab initio simulation and semi-empirical modeling of metal dissolution in aqueous electrolyte, Pacichem Meeting Honolulu, Hawaii, USA, December 14-19, 2000 (Invited talk).

    21. V.S. Vikhnin, R.I. Eglitis, E.A. Kotomin, S.E. Kapphan, New polaronic-type excitons in ferroelectric oxides: nature and experimental manifestation, 2001 Workshop on Fundamental Physics of Ferroelectrics, February 4-7, 2001, Williamsburg, VA, USA.

    22. L. Grigorjeva, D. Millers, V. Pankratov, E.A. Kotomin and R.I. Eglitis, Polaron effects in LiNbO3 and KNbO3 perovskite crystals, 17th Conference of Institute of Solid State Physics, University of Latvia, Riga, Latvia, February, 2001.

    23. E. Heifets, R.E. Cohen, R.I. Eglitis, E.A. Kotomin and G. Borstel, First-principles and semi-empirical calculations of atomic and electronic structure for SrTiO3 (100) and (110) surfaces, APS March 2001 Meeting, March 12-16, 2001, Seattle, Washington, USA.

    24. R.I. Eglitis, M.R. Philpott and S.V. Izvekov, Computer modelling of corrosion, 2001 MRS Spring Meeting, April 16-20, 2001, SanFrancisco, California, USA, p. 331, (Invited talk)

    25. R.I. Eglitis, E.A. Kotomin and G. Borstel, Computer Modelling of Luminescence in ABO3 Perovskites, 2001 MRS Spring Meeting, April 16-20, 2001, SanFrancisco, California, USA, p. 142.

    26. V.S. Vikhnin, R.I. Eglitis, E.A. Kotomin, S.E. Kapphan and G. Borstel, New Polaronic-type excitons in ferroelectric oxides: Nature and Experimental Manifestation, 2001 MRS Spring Meeting, April 16-20, 2001, SanFrancisco, California, USA, p. 435.

    27. R.I. Eglitis, A.V. Postnikov and G. Borstel, Computer Modelling for Single and Interacting Li Impurities in KTaO3, 2001 MRS Spring Meeting, April 16-20, 2001, SanFrancisco, California, USA, p. 436.

    28. E.Heifets, R.E. Cohen, R.I. Eglitis, E.A. Kotomin and G. Borstel, Calculations of Surface Structure for SrTiO3 perovskite, 2001 MRS Spring Meeting, April 16-20, 2001, SanFrancisco, California, USA, p. 289.

    29. E.A. Kotomin, R.I. Eglitis, J. Maier, and E. Heifets, Calculations of the atomic and electronic structure for ABO3 perovskite thin films, E-MRS 2001 Spring Meeting, Symposium N, June 5-8, Strasbourg, France.

    30. E.A. Kotomin, R.I. Eglitis, and G. Borstel, Calculations of radiation-induced point defects, polarons and excitations in ferroelectric perovskites, Radiation Effects in Insulators, REI –11, Lisbon, Portugal, September 03-07, 2001.

    31. R.I. Eglitis, E.A. Kotomin, and G. Borstel, Computer Modeling of point Defects in Perovskite Crystals, 10th International Meeting on Ferroelectricity, September 3-7, 2001, Madrid, Spain., p. 44.

    32. V.S. Vikhnin, R.I. Eglitis, S.E. Kapphan, E.A. Kotomin and G. Borstel, New Type Charge Transfer States in Ferroelectric Oxides: Theoretical and Experimental Studies of Charge Transfer Vibronic Exciton Phase, 10th International Meeting on Ferroelectricity, September 3-7, 2001, Madrid, Spain, p. 61.

    33. R.I. Eglitis, E.A. Kotomin, G. Borstel, E.Heifets and R.E. Cohen, Ab initio Calculations of Atomic and Electronic Structure for SrTiO3 (100) Surfaces, 10th International Meeting on Ferroelectricity, September 3-7, Madrid, Spain, p. 69.

    34. R.I. Eglitis, V.S. Vikhnin, S.E. Kapphan, E.A. Kotomin and G. Borstel, Structure and Recombination Luminescence of New-Polaronic Type Excitons in Ferroelectric Oxides, 10th International Meeting on Ferroelectricity, September 3-7, 2001, Madrid, Spain, p. 80.

    35. E.Heifets, R.I. Eglitis, E.A. Kotomin, J. Maier and G. Borstel, First-Principles Calculations for SrTiO3 (100) Surface Structure, Fundamental Physics of Ferroelectrics, February 3-6, 2002, Washington, USA.

    36. R.I. Eglitis, V.S. Vikhnin , E.A. Kotomin, S.E. Kapphan, and G. Borstel, MRS 2002 Spring Meeting, SanFrancisco, California, April 1-5, 2002, pp. 116, 2002.

    37. R.I. Eglitis, E.A. Kotomin, N.E. Christensen, and G. Borstel, Calculations of the Electronic and Atomic Structure and Diffusion of point Defects in KNbO3 perovskite crystals and relevant KTN Solid Solutions, MRS 2002 Spring Meeting, SanFrancisco, California, April 1-5, 2002, pp. 117, 2002.

    38. R.I. Eglitis, V.A. Trepakov, S.E. Kapphan, and G. Borstel, Computer modeling of Single and interacting Li impurities in KTaO3 and K1-xLixTa1-yNbyO3 perovskite solid solutions, MRS 2002 Spring Meeting, SanFrancisco, California, April 1-5, 2002, pp. 98, 2002.

    39. R.A. Evarestov, R.I. Eglitis, S. Piskunov, E.A. Kotomin, and G. Borstel, Large - scale ab initio simulations of Fe-doped SrTiO3 perovskites, MRS 2002 Spring Meeting, SanFrancisco, California, April 1-5, 2002, pp. 395, 2002.

    40. R.I. Eglitis, E. Heifets, E.A. Kotomin, and G. Borstel, Calculations of atomic and Electronic Structure for (100) Surfaces of SrTiO3 perovskite, MRS 2002 Spring Meeting, SanFrancisco, California, April 1-5, 2002, pp. 113, 2002.

    41. R.I. Eglitis, E.A. Kotomin, G. Borstel, S.E. Kapphan, V.S. Vikhnin, and N.E. Christensen, Calculations of the electronic and atomic structure of point defects, polarons and excitons in ABO3 perovskite crystals, European Materials Research Society Spring Meeting, Strasbourg, France, June 18-21, 2002, A/PII.02, 2002.

    42. R.I. Eglitis, V.A. Trepakov, S.E. Kapphan and G. Borstel, Large-scale computer modeling of Li impurities in KTaO3 and K1-xLixTa1-yNbyO3 perovskite solid solutions, European Materials Research Society Spring Meeting, Strasbourg, France, June 18-21, 2002, L/P.34, 2002.

    43. R.I. Eglitis, E. Heifets, E.A. Kotomin, J. Maier and G. Borstel, First-principles calculations for perovskite thin films, European Materials Research Society Spring Meeting, Strasbourg, France, June 18-21, 2002, P-II.2, 2002.

    44. R.I. Eglitis, D.Fuks, S. Dorfman, E.A. Kotomin, and G. Borstel, Large-scale modeling of the phase transitions in KTa1-xNbxO3 perovskite solid solutions, European Materials Research Society Spring Meeting, Strasbourg, France, June 18-21, 2002, P-II.7, 2002.

    45. G. Borstel, R.I. Eglitis, and E.A. Kotomin, Computer Modeling of Point Defects, Polarons and Excitons in Perovskite Ferroelectrics, The 3rd International Conference – Advanced Optical Materials and Devices, August 19-22, 2002, Riga, Latvia, pp. 29.

    46. S. Piskunov, R.A. Evarestov, R.I. Eglitis, E.A. Kotomin and G. Borstel, Large-scale First-principles Calculations of Fe-doped SrTiO3, The 3rd International Conference – Advanced Optical Materials and Devices, August 19-22, 2002, Riga, Latvia, pp. 31.

    47. R.I. Eglitis, D. Fuks, S. Dorfman, E.A. Kotomin, G. Borstel, and V.A. Trepakov, Quantum chemical modelling of phase transitions in perovskite solid solutions, Fundamental Physics of Ferroelectrics, 2-5 February 2003, Williamsburg, Virginia, USA, pp. 33.

    48. R.I. Eglitis, E.A. Kotomin, G. Borstel, and V.S. Vikhnin, Quantum chemical modeling of polarons and excitons in ABO3 perovskites, Fundamental Physics of Ferroelectrics, 2-5 February 2003, Williamsburg, Virginia, USA, pp. 32.

    49. E. Heifets, R.I. Eglitis, E.A. Kotomin, J. Maier and G. Borstel, Ab initio calculations of the polar surface structure for SrTiO3 perovskite, Fundamental Physics of Ferroelectrics, 2-5 February 2003, Williamsburg, Virginia, USA, pp. 43.

    50. R.I. Eglitis, G. Borstel, V.A. Trepakov, and S.E. Kapphan, Computer modelling of interacting Li impurities in KTaO3 and K1-xLixTa1-yNbyO3 solid solutions, EMF2003, The 10th European Meeting on Ferroelectricity, Cambridge UK, August 3 – August 8, 2003, Journal of Conference Abstracts, Vol. 8, pp. 121, 2003.

    51. R.I. Eglitis, E.A. Kotomin, G. Borstel, D. Fuks, S. Dorfman, and V.A. Trepakov, Quantum chemical modelling of the atomic and electronic structure of KNbO3, KTaO3, KNbxTa1-xO3, BaTiO3 and PbTiO3,

    EMF2003, The 10th European Meeting on Ferroelectricity, Cambridge UK, August 3 – August 8, 2003, Journal of Conference Abstracts, Vol. 8, pp. 121, 2003.

    1. R.I. Eglitis, E. Heifets, E.A. Kotomin, J. Maier, and G. Borstel, Ab initio modelling of the atomic and electronic structure of SrTiO3 Polar (110) surface, EMF2003, The 10th European Meeting on Ferroelectricity, Cambridge UK, August 3 – August 8, 2003, Journal of Conference Abstracts, Vol. 8, pp. 120, 2003.

    2. V.S. Vikhnin, S.E. Kapphan, R. Blinc, R. Pirc, R.I. Eglitis, and A.S. Sigov, Polarons, Bi-polarons, and Bi-polaronic Excitons in Ferroelectric Relaxors, EMF2003, The 10th European Meeting on Ferroelectricity, Cambridge UK, August 3 – August 8, 2003, Journal of Conference Abstracts, Vol. 8, pp. 347, 2003.

    3. E.A. Kotomin, J.Maier, E. Heifets, and R.I. Eglitis, First principles calculations of the surface structure for ABO3 perovskites, 9th European Conference on Solid State Chemistry, Stuttgart, September 3-6, 2003, P046, 2003.

    4. G. Borstel, R.I. Eglitis, and E.A. Kotomin, Computer modeling of point defects in ABO3 perovskites,

    Workshop on Computational Physics Dedicated to the Memory of Stanislav Merkuriev, St. Petersburg,

    August 24-27, 2003, page. 27.



    1. R.I. Eglitis, E. Heifets, E.A. Kotomin, J. Maier, and G. Borstel, Ab initio calculations for SrTiO3

    perovskite thin films with different termination, ICMAT2003, International Conference on Materials

    for Advanced Technologies, 7-12 December, 2003, Singapore, pp. 155.



    1. R.I. Eglitis, E.A. Kotomin, D. Fuks, S. Dorfman, and G. Borstel, Modeling of the phase transitions in

    KTa1-xNbxO3 perovskite solid solutions, ICMAT2003, International Conference on Materials for

    Advanced Technologies, 7-12 December, 2003, Singapore, pp. 240.



    1. R.I. Eglitis, and G. Borstel, Towards practical 5 V rechargeable Li ion battery, ICMAT2003,

    International Conference on Materials for Advanced Technologies, 7-12 December, 2003, Singapore,

    pp. 149.


    1. R.I. Eglitis, E.A. Kotomin, and G. Borstel, Computer modeling of point defects in ABO3 perovskites

    and MgO, ICMAT2003, International Conference on Materials for Advanced Technologies, 7-12

    December, 2003, Singapore, pp. 495.



    1. R.I. Eglitis, M.R. Philpott, and S.V. Izvekov, Large-scale computer modeling of corrosion, ICMAT2003, International Conference on Materials for Advanced Technologies, 7-12 December, 2003, Singapore, pp. 504.

    2. R.I. Eglitis, and G. Borstel, Modeling of Li impurities in KTaO3 and K1-xLixTa1-xNbxO3 perovskite solid solutions, International Conference on Materials for Advanced Technologies, 7-12 December, 2003, Singapore, pp. 636.

    3. R.I. Eglitis, and G. Borstel, Ab initio calculations of Ni clustered aggregates on graphite surfaces, ICMAT2003, International Conference on Materials for Advanced Technologies, 7-12 December, 2003, Singapore, pp. 636.

    4. S. Piskunov, E.A. Kotomin, and R.I. Eglitis, Use of hybrid density functional theory for ab initio

    calculations of defective perovskite crystals, 20th ISSP Conference, Riga, February, 2004, Abstract

    book, p. 48.



    1. K. Kuepper, I. Balasz, M. Kadiroglu, G. Borstel, R.I. Eglitis, H. Hesse, K.C. Prince, A. Takacs, T.

    Crainic, M. Matteucci, D. Wett, R. Szargan, A. Winiarski, E.Z. Burzo, and M. Neumann, Electronic

    and Magnetic Properties of Sr2FeMoO6, Second Seeheim Conference on Magnetism, June 27, 2004 –

    July 1, 2004, Seeheim, Germany.


    1. R.I. Eglitis, E.A. Kotomin, and G. Borstel, Large scale computer modelling of point defects in ABO3

    perovskites, The 15th International Conference on Defects in Insulating Materials, ICDIM04 (Riga,

    Latvia, July 11-16, 2004), Abstract book, p. 4.



    1. V.S. Vikhnin, S.E. Kapphan, and R.I. Eglitis, Charge transfer vibronic excitons: from idea to experiment, theory and applications, The 15th International Conference on Defects in Insulating Materials, ICDIM04 (Riga, Latvia, July 11-16, 2004), Abstract book, p. 4.

    2. E.M. Fernandez, R. Eglitis, G. Borstel, and L.C. Balbas, Adsorption and dissociation of water on non-

    ideal surfaces of alumina. A first principles study, IX European Conference on Organised Films, July

    22-25, 2004, Palacio de Congresos Conde Ansurez, Valladolid, Spain, Book of Abstracts, page 110.



    1. G. Borstel, and R.I. Eglitis, Large scale computer modelling of point defects in perovskite crystals,

    Electronic structure, principles and applications, Valladolid, Spain, 15-17 September, 2004, Abstract

    book, p. L6.

    105. E.M. Fernandez, R. Eglitis, G. Borstel, and L.C. Balbas, Adsorption and dissociacion of water on

    non- ideal surfaces of alumina. A first principles study, Electronic structure, principles and

    applications, Valladolid, Spain, 15-17 September, 2004, Abstract book, p. B63.

    106. R.I. Eglitis, H. Shi, and G. Borstel, Ab initio calculations of the CaF2 bulk and surface electronic and

    band structure, 3rd International Conference on Materials for Advanced Technologies

    (ICMAT 2005), July 3-8, 2005, Singapore, p. 235.

    107. R.I. Eglitis, G. Borstel, E. Heifets, S. Piskunov, and E.A. Kotomin, Ab initio calculations of the

    SrTiO3, PbTiO3, BaTiO3 (001) and BaTiO3 (110) surfaces, 3rd International Conference on

    Materials for Advanced Technologies (ICMAT 2005), July 3-8, 2005, Singapore, p. 142.

    108. H. Shi, R.I. Eglitis, and G. Borstel, First-principles calculations of the CaF2 and BaF2 electronic

    structure and F centers, E-MRS Spring Meeting, Nice, France, May 29 – June 2, 2006, p. 34.

    109. A. Gopejenko, R.I. Eglitis, and S. Piskunov, Ab initio calculations of perfect and defective PbZrO3

    surfaces, ,23rd ISSP Conference, Riga, Latvia, February 13-15, 2007, Abstract book, p. 18.

    110. R.I. Eglitis, and J. Lee, Ab initio calculations of the SrTiO3, BaTiO3, and PbTiO3 (001), as well as

    BaTiO3 and PbTiO3 (011) surfaces, Fundamental Physics of Ferroelectrics 2007, Colonial

    Williamsburg, VA, USA, February 11-14, 2007, Abstract book, p. 35-36.

    111. R.I. Eglitis, A. Gopejenko, S. Piskunov, Yu.F. Zhukovskii, and J. Lee, Electronic structure of perfect

    and defective PbZrO3 (001): Ab initio simulations, Fundamental Physics of Ferroelectrics 2007,

    Colonial Williamsburg, VA, USA, February 11-14, 2007, Abstract book, p. 37-38.

    112.R.I. Eglitis, and J. Lee, Ab initio calculations of BaZrO3 (001) and (011) surfaces, Fundamental

    Physics of Ferroelectrics 2007, Colonial Williamsburg, VA, USA, February 11-14, 2007, Abstract

    book, p. 39-40.

    113. R.I. Eglitis, and J. Lee, Ab Initio modeling of SrTiO3, BaTiO3, PbTiO3 Perovskite Surfaces, Korean

    Ceramics Society Meeting, April 20-21, 2007, Seoul, South Korea, Abstract book, page 29.

    114. R.I. Eglitis, and David Vanderbilt, Ab initio calculations of BaTiO3, PbTiO3, and SrTiO3 (001) and

    (011) surface structures, Fundamental Physics of Ferroelectrics 2008, Colonial Williamsburg, VA,

    February 10-13, 2008, USA, Abstract book, pages 70-71.

    115. R.I. Eglitis, and David Vanderbilt, Ab initio calculations of SrTiO3, BaTiO3, and PbTiO3 (001) and



    (011) surfaces, APS March Meeting, New Orleans, Louisiana, March 10-14 2008, USA, Abstract

    book, pages 347.
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