jem

Dr. Julia E. Medvedeva

Computational Condensed Matter Physics

Department of Physics
Missouri University of Science & Technology
1315 N. Pine Street
Rolla, MO 65409-0640
Tel. (573) 341-4789
Fax. (573) 341-4715
Email:


Research Interests
                                                                                                 
Materials from the mind
                                                                                                      rather than from the mines

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Computational Methods
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Education

PhD in Physics
Electronic structure, magnetic properties and orbital ordering in manganites of La-Sr-Mn-O system
1999-2002  Institute of Metal Physics, Ural Branch of the Russian Academy of Science, Ekaterinburg, Russia

MS in Physics
The effect of Coulomb interaction and magnetic ordering on the electronic structure of two hexagonal YMnO3 phases from first-principle calculations
1997-1999  Ural State University, Ekaterinburg Russia

BS in Physics
Electronic structure and properties of pure and rare-earth-doped CaF2 and SrF2
1993-1997  Ural State University, Ekaterinburg Russia

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Professional
appointments

2005-present  Assistant Professor, University of Missouri-Rolla, Rolla, MO, USA
2002-2005     Postdoctoral Research Fellow, Northwestern University, Evanston, IL, USA
1996-2002     Predoctoral Research Fellow (intermittent), Northwestern University, Evanston, IL, USA
1996-2002     Research Assistant, Institute of Metal Physics, Ural Branch of the Russian Academy of Science, Ekaterinburg, Russia

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Professional activities

Referee for professional journals
Physical Review B, Physical Review Letters, Journal of the American Chemical Society, Applied Physics Letters,
Journal of Luminescence, The European Physical Journal B, Physica Status Solidi - Rapid Research Letters


Session Chair for International Symposium on Defects, Transport and Related Phenomena, Materials Science and Technology 2007


Awards

1999  Soros Student Scholarship, International Soros Science Education Program (ISSEP)

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Research grants participation

A. Funding

2008-2010  Earth-friendly transparent conducting oxides from first-principles investigations: calcium aluminates
                   Petroleum Research Fund (PRF), American Chemical Society
                   Role: Principal Investigator

2007-2009  Electronic band structure investigations of complex multicomponent oxides for photovoltaic applications
                   National Science Foundation (NSF), DMR, Condensed Matter and Materials Theory
                   Role: Principal Investigator

2008-2010  (AHSS) Development of Nano-acicular Duplex Steels
                   National Science Foundation (NSF), Division of Civil, Mechanical and Manufacturing Innovation
                   Role: Co-Principal Investigator

2006-2007  Multifunctional nanoporous materials: ab-initio approach
                   University of Missouri Research Board
                   Role: Principal Investigator

1998-2006  Energetics, bonding mechanism and electronic structure of ceramic/ceramic and metal/ceramic interfaces
                   The U.S. Department of Energy (DOE)
                   Role: Collaborator

2004-2005  Synergistic Linear and Nonlinear Electronic, Photonic and Magnetic Phenomena in Multifunctional Oxide Systems (IRG2)
                   Materials Research Science and Engineering Center (MRSEC) at Northwestern University
                   funded by National Science Foundation (NSF)
                   Role: Collaborator

2005           Magnetization dynamics in restricted geometries (new IRG)
                   Materials Research Science and Engineering Center (MRSEC) at Northwestern University
                   funded by National Science Foundation (NSF)
                   Role: Collaborator

2002-2005  Production, injection, transport and manipulation of spin-polarized electrons within III-N-semiconductor structures
                   The Defense Advanced Research Projects Agency (DARPA)
                   Role: Collaborator

2004-2006  Non-stoichiometry effects in s, p, d-borides: quantum chemistry modelling of lattice defects on the electronic structure and properties
                   Russian Foundation for Basic Research (RFBR)
                   Role: Collaborator

2002-2004  Quantum-chemistry modelling of new superconducting materials based on MgB2 and relative binary and ternary compounds:
                   electronic structure and physico-chemical properties
                   Russian Foundation for Basic Research (RFBR)
                   Role: Collaborator

2002-2004  Radiation hardness of Cu(InGa)Se2 for solar cell application
                   International Association (INTAS)
                   Role: Collaborator

2000-2003  Chalcopyrites for Spintronics Applications
                   The Defense Advanced Research Projects Agency (DARPA)/Office of Naval Research (ONR) Spintronics Program
                   Role: Collaborator


B. Computational

2007-2009  Multicomponent Oxides as Novel Transparent Conductors
                   DOE supported National Energy Research Scientific Computing Center (NERSC)
                   Role: Principal Investigator

2007-2008  Electronic Band Structure Investigations of Complex Oxides for Photovoltaic Applications
                   NSF supported San Diego Supercomputer Center (SDSC)
                   Role: Principal Investigator

2000-2005  Electronic Structure and Phenomena in Complex Ceramics
                   National Energy Research Scientific Computing Center (NERSC) supported by the U.S. Department of Energy (DOE)

2004-2005  Nitride-based materials for spintronic applications: investigations by density-functional theory
                   National Center for Supercomputing Applications (NCSA)

2003-2004  Advanced Tetrahedrally-Bonded Ferromagnetic Semiconductors for Sprintronic Applications
                   National Resource Allocation at San Diego Supercomputer Center (SDSC)

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Publications


40. Carrier generation in transparent conductors: layered multicomponent InGaZnO4 and its constituent oxides
     
J.E. Medvedeva and C.L. Hettiarachchi
     Submitted for publication

39. Enhanced electronic conductivity in Si-substituted calcium aluminate
     
M. Bertoni, J. Medvedeva, Y.Q. Wang, A. Freeman, K.R. Poeppelmeier, and T. Mason
     Journal of Applied Physics, 102, 113704 (2007)   PDF

38. Electronic band structure and carrier effective mass in calcium aluminates
     
J.E. Medvedeva, E.N. Teasley, M.D. Hoffman
     Physical Review B, 76, 155107 (2007)   PDF

37. Screened-exchange determination of the electronic properties of monoclinic, tetragonal and cubic zirconia
     
J.E. Medvedeva, A.J. Freeman, C.B. Geller and D.M. Rishel
     Physical Review B, 76, 235115 (2007)   PDF

36. Structural and magnetic properties of orthorhombic LixMnO2
     
D.G. Kellerman, J.E. Medvedeva, V.S. Gorshkov, A.I. Kurbakov, V.G. Zubkov, A.P. Tyutyunnik and V.A. Trunov
      Solid State Sciences, 9, 196-204 (2007)   PDF

35. Averaging of the electron effective mass in multicomponent transparent conducting oxides
      J.E. Medvedeva
      Europhysics Letters, 78, 57004-6 (2007)   PDF

34. Tuning the properties of transparent oxide conductors. Dopant ion size and electronic structure effects on CdO-based transparent conducting oxides.
      Ga- and In-doped CdO thin films grown by MOCVD
     
S. Jin, Y.Yang, J.E. Medvedeva, L. Wang, S. Li, N. Cortes, J.R. Ireland, A.W. Metz, J. Ni, M.C. Hersam, A.J. Freeman, T.J. Marks
      Chemistry of Materials, 20, 220-230 (2008)   PDF

33. Spatial distribution and magnetism in poly-Cr doped GaN: first-principles investigations
     
X.Y. Cui, J.E. Medvedeva, B. Delley, A.J. Freeman, C. Stampfl
      Physical Review B, 75, 155205 (2007)   PDF

32. Unconventional approaches to combine optical transparency with electrical conductivity
     
J.E. Medvedeva
      Applied Physics A: Special Issue on Transparent Conducting Oxides, 89, 43-47 (2007)   PDF

31. Electronic structure of La0.7Sr0.3Mn1-xCuxO3 (0.0 x 0.30)
     
M.S. Kim, J.B. Yang, J.E. Medvedeva, W.B. Yelon, P.E. Parris, W.J. James
      Accepted for publication

30. Quantum chemical analysis of electronic structure and n- and p-type charge transport in perfluoroarene-modified oligothiophene semiconductors
     
S.E. Koh, B. Delley, J.E. Medvedeva, A. Facchetti, A.J. Freeman, T.J. Marks, and M.A. Ratner
      Journal of Physical Chemistry B, 110, 24361-24370 (2006)   PDF

29. Magnetically Mediated Transparent Conductors: In2O3 doped with Mo
     
J.E. Medvedeva
      Physical Review Letters, 97, 086401 (2006)   PDF

28. Recent progress towards the development of ferromagnetic nitride semiconductors for spintronic applications
     
N. Newman, S.Y. Wu, H.X. Liu, J.E. Medvedeva, Lin Gu, R.K. Singh, Z.G. Yu, I.L. Krainsky, S. Krishnamurthy,
      D.J. Smith, A.J. Freeman, M. van Schilfgaarde
      Physica Status Solidi A - Applications and Materials Science, 203, 2729-2737 (2006)   PDF

27. Role of Embedded Clustering in Dilute Magnetic Semiconductors: Cr doped GaN
     
X.Y. Cui, J.E. Medvedeva, B. Delley, A.J. Freeman, N. Newman, C. Stampfl
      Physical Review Letters, 95, 256404 (2005)   PDF

26. CdO as the Archetypical Transparent Conducting Oxide. Systematics of Dopant Ionic Radius and
      Electronic Structure Effects on Charge Transport and Band Structure

      Y. Yang,
S. Jin, J.E. Medvedeva, J.R. Ireland, A.W. Metz, J. Ni, M.C. Hersam, A.J. Freeman, T.J. Marks
     
Journal of the American Chemical Society, 127, 8796 (2005)  PDF

25. Electronic structure and magnetic states of crystalline and fullerene-like forms of NiCl2
     A.N. Enyashin, N.I. Medvedeva, Yu.E. Medvedeva, A.L.Ivanovskii
     Physics of the Solid State (Fizika Tverdogo Tela), 47, 527 (2005)  PDF

24. Tunable conductivity and conduction mechanism in an ultraviolet light activated electronic conductor
      M.I. Bertoni, T.O. Mason, J.E. Medvedeva, A.J. Freeman, K.R. Poeppelmeier, B. Delley
      Journal of Applied Physics, 97, 103713 (2005)   PDF

23. Half-metallicity and efficient spin injection in AlN/GaN:Cr (0001) heterostructure
      J.E. Medvedeva, A.J. Freeman, X.Y. Cui, C. Stampfl, N. Newman
      Physical Review Letters, 94, 146602 (2005)   PDF

22. Combining high conductivity with complete optical transparency: A band-structure approach
      J.E. Medvedeva, A.J. Freeman
      Europhysics Letters, 69, 583 (2005)   PDF

21. Ferromagnetism of Mn/Ge multilayers grown by molecular beam epitaxy
      J.J. Lee, J.E. Medvedeva, J.H. Song, Y. Cui, A.J. Freeman, J.B. Ketterson
      Journal of Superconductivity, 18, 335 (2005)   PDF

20. Dopant Ion Size and Electronic Structure Effects on Transparent Conducting Oxides. Sc-Doped CdO Thin Films Grown by MOCVD
      S. Jin, Y. Yang, J.E. Medvedeva, J.R. Ireland, A.W. Metz, J. Ni, C.R. Kannewurf, A.J. Freeman, T.J. Marks
      Journal of the American Chemical Society, 126, 13787 (2004)
  PDF

19. Electronic structure properties and BCS superconductivity in beta-pyrochlore oxides: KOs2O6
      R. Saniz, J. E. Medvedeva, Lin-Hui Ye, T. Shishidou, A. J. Freeman
      Physical Review B, 70, 100505(R) (2004)   PDF

18. Synthesis, structure, and properties of new perovskite PbVO3
      R.V. Shpanchenko, V.V. Chernaya, A.A. Tsirlin, P.S. Chizhov, D.E. Sklovsky, E.V. Antipov, E.P. Khlybov, V. Pomjakushin,
      A.M. Balagurov, J.E. Medvedeva, E.E. Kaul, C. Geibel
      Chemistry of Materials, 16, 3267 (2004)   PDF

17. Hopping versus bulk conductivity in transparent oxides: 12CaO.7Al2O3
      J.E. Medvedeva, A.J. Freeman
      Applied Physical Letters, 85, 955 (2004)   PDF

16. Electronic structure and light-induced conductivity in a transparent refractory oxide
      J.E. Medvedeva, A.J. Freeman, M.I. Bertoni, T.O. Mason
      Physical Review Letters, 93, 016408 (2004)   PDF

15. Orbital ordering in paramagnetic LaMnO3 and KCuF3
      J.E. Medvedeva, M.K. Korotin, V.I. Anisimov, A.J. Freeman
      Physical Review B, 65, 172413 (2002)   PDF

14. Role of Coulomb correlation on magnetic and transport properties of doped manganites: La0.5Sr0.5MnO3 and LaSr2Mn2O7
      J.E. Medvedeva, V.I. Anisimov, O.N. Mryasov, A.J. Freeman
      Journal of Physics: Condens. Matter, 14, 4533 (2002)   PDF

13. Electronic structure of ternary boron-containing phases YCrB4, Y2ReB6 and MgC2B2
      N.I.Medvedeva, Yu.E.Medvedeva, A.L.Ivanovskii
      Doklady Physical Chemistry (Doklady Akademii Nauk), 383 , 75-77 (2002)

12. Electric field gradients in s-, p- and d-metal diborides and the effect of pressure on the band structure and Tc in MgB2
    N.I. Medvedeva, A.L. Ivanovskii, J.E. Medvedeva, A.J.Freeman, D.L. Novikov
    Physical Review B, 65, 052501 (2001)

11. Electronic structure of the superconducting MgB2 and layered ternary phases: MgB2-yNy and Mg3BN3 (in Russian)
    N.I. Medvedeva, J.E. Medvedeva, A.L. Ivanovskii
    Doklady Physical Chemistry (Doklady Akademii Nauk), 379, 168 (2001)

10. Electronic structure of superconducting MgB2 and related binary and ternary borides
    N.I. Medvedeva, A.L. Ivanovskii, J.E. Medvedeva, A.J.Freeman
    Physical Review B, 64, 020502(R) (2001)

9. The electronic band structures of superconducting MgB2 and related borides CaB2, MgB6 and CaB6
    S.V. Okatov, A.L. Ivanovskii, J.E. Medvedeva, N.I. Medvedeva
    Physica Status Solidi B, 225, R3 (2001)

8. Electronic structure of the superconducting MgB2 and modeling related ternary systems (in Russian)
    N.I. Medvedeva, J.E. Medvedeva, A.L. Ivanovskii, V.G. Zubkov, A.J. Freeman
    Letters to JETP, 73, 336 (2001)

7. Coulomb correlation and magnetic ordering in double-layered LaSr2Mn2O7
    J.E. Medvedeva, V.A. Anisimov, M.K. Korotin, O.N. Mryasov, A.J. Freeman
    Journal of Magnetism and Magnetic Materials, 237, 47 (2001)

6. The effect of Coulomb interaction and magnetic ordering on the electronic structure of two hexagonal YMnO3 phases
    J.E. Medvedeva, O.N. Mryasov, M.K. Korotin, V.A. Anisimov, A.J. Freeman
    J. Phys.: Condens. Matter, 12, 4947 (2000)

5. First-principle investigations of stability and electronic properties of metal diborides: II. 4d-5d transition metal diborides (in Russian)
    A.L. Ivanovsky, N.I. Medvedeva, J.E. Medvedeva
    Metallofisika, 21, 19 (1999)

4. Computer modeling of physical properties of ideal and doped fluorites (in Russian)
    Ju. Zaharov, J.E. Medvedeva, A.E. Nikiforov, S.Ju. Shashkin
    Voprosy spektroskopii i spektrometrii, 80 (1998)

3. First-principle investigations of stability and electronic properties of metal diborides: I. 3d-transition metal diborides (in Russian)
    A.L. Ivanovsky, N.I. Medvedeva, G.P. Shvejkin, J.E. Medvedeva, A.E. Nikiforov
    Metallofisika, 20, 41 (1998)

2. First-principle analysis of crystal structure stability of RuB2 (in Russian)
    A.L. Ivanovsky, N.I. Medvedeva, J.E. Medvedeva
    Doklady Physical Chemistry (Doklady Akademii Nauk), 361, 642 (1998)

1. Quantum-chemical analysis of the chemical stability and cohesive properties of hexagonal TiB2, VB2, ZrB2 and NbB2
    A.L. Ivanovsky, N.I. Medvedeva, J.E. Medvedeva
    Mendeleev Communications, 4, 129 (1998)

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Invited Talks

2nd International Symposium on Transparent Conducting Oxides, Hersonissos, Crete, Greece, 2008
    J.E. Medvedeva
    Light-metal TCO: challenges and prospects

Physics Seminar, UMSL, St. Loius, 2007
    J.E. Medvedeva
    Transparent conducting oxides: role of carrier generation

Materials Science and Technology Conference (ACS, AIST, ASM, TMS), Detroit, Michigan, 2007
    J.E. Medvedeva
    Complex Oxides as Novel Transparent Conductors

MRSEC Seminar, Northwestern University, Evanston, 2007
    J.E. Medvedeva
    Combining optical transparency with electrical conductivity: the advantages of complex oxides

Toyota Central R&D Labs, Nagoya, Japan, 2007
    J.E. Medvedeva
    Designing novel materials from first principles: transparent conductors and beyond

International Symposium on C12A7 and Nanoporous Materials, Tokyo Institute of Technology, Yokohama, Japan, 2007
    J.E. Medvedeva
    Future of Nanoporous TCO: What we have learned from C12A7

1st International Symposium on Transparent Conducting Oxides, Hersonissos, Crete, Greece, 2006
    J.E. Medvedeva
    Density Functional Theory: From Conventional to Novel Transparent Conductors

Workshop on Transparent and Conducting Oxides (TACOS), Microsystems Technology Office, DARPA, Arlington, VA, 2006
    J.E. Medvedeva
    Origin of Isotropic Transport Properties in Layered Transparent Conductors

106th Annual Meeting and Exposition of the American Ceramic Society, Indianapolis, 2004
    J.E. Medvedeva, A.J. Freeman, M.I. Bertoni, T.O. Mason
    Electronic structure and light-induced conductivity in a transparent oxide

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Conferences, Workshops, Meetings

MRS Spring Meeting, San Fransisco, 2007
    N. Newman, H.X. Liu, S.Y. Wu, K.R. Singh, J.E. Medvedeva, Z.G. Yu, S. Krishnamurthy, A.J. Freeman, M. van Schilfgaarde
    Development of ferromagnetic III-N Semiconductor materials for spintronic applications

APS March Meeting, Baltimore, 2006
   X.Y. Cui, J.E. Medvedeva, A.J. Freeman, B. Delley, C. Stampfl
   Embedded Clustering and Metastable Magnetism in Transition-Metal doped III-Nitrides

March Meeting of the American Physical Society, Los Angeles, 2005
    (i) J.E. Medvedeva, A.J. Freeman, J.B. Ketterson
        Theoretical modeling of epitaxial growth and properties of Mn/Ge (001) multilayers

    (ii) X.Y. Cui, C. Stampfl, B. Delley, J.E. Medvedeva, A.J. Freeman
         First Principles Investigation on the Spatial Distribution and Magnetism in Cr doped GaN

    (iii) Y.C. Hsue, J.E. Medvedeva, A.J. Freeman
          Ground and excited state properties of CaB6 determined by LDA and screened-exchange LDA

49th Conference on Magnetism and Magnetic Materials, Jacksonville, 2004
    J.E. Medvedeva, C. Stampfl, A.J. Freeman, N. Newman
    Interface engineering from first principles: Cr-doped GaN/AlN heterostructures

13th Multifunctional Oxides Workshop, Argonne National Laboratory, Argonne, 2004
    J.E. Medvedeva, M.I. Bertoni, A.J. Freeman, T.O. Mason, K.R. Poeppelmeier
    Theoretical and experimental investigations of UV-activated transparent conducting oxide

Gordon Research Conference (GRC) on Surfaces and Interfaces, New Hampshire, 2004
    M.I. Bertoni, J.E. Medvedeva, A.J. Freeman, T.O. Mason, K.R. Poeppelmeier
    Electrical property investigations of UV-activated transparent conducting oxide

3rd International conference on physics and applications of spin-related phenomena in semiconductors (PASPS III), Santa-Barbara, 2004
    J.J. Lee, J.E. Medvedeva, J.H. Song, Y. Cui, A.J. Freeman, J.B. Ketterson
    Ferromagnetism of Mn/Ge multilayers grown by molecular beam epitaxy

March Meeting of the American Physical Society, Montreal, Canada, 2004
    (i) J.E. Medvedeva, A.J. Freeman, M.I. Bertoni, T.O. Mason
    Light-induced hopping conductivity in a transparent oxide

    (ii) J.E. Medvedeva, A.J. Freeman, C.B. Geller
    Conduction band topology and optical properties of monoclinic ZrO2

March Meeting of the American Physical Society, Austin, USA, 2003

    (i) J.E. Medvedeva, A.J. Freeman, M.K. Korotin, V.I. Anisimov
    Competition between magnetic and charge/orbital ordering in double-layered LaSr2Mn2O7

    (ii) Tatsuya Shishidou, Yu-Jun Zhao, Julia Medvedeva, A. J. Freeman, J. K. Furdyna
    Materials Design of Ferromagnetic Semiconductors with Defect-Chalcopyrite Structure (v-Mn)III2VI4

14th International Symposium on Boron, Borides and Related Compounds (ISBB'02), Saint Petersburg, Russia, June 9-14, p. 8, 2002
    (i) N. Medvedeva, J. Medvedeva, A. Ivanovskii
    First-principle study of the electronic structure and chemical stability of 3d,4d,5d transition metal diborides and superconductivity in MgB2

    (ii) J. Medvedeva, N. Medvedeva, A. Ivanovskii, A. Freeman
    Electric field gradients in s,p,d metal diborides and the effect pressure on the band structure and Tc in MgB2

March Meeting of the American Physical Society, Indianapolis, USA, 2002
    (i) J.E. Medvedeva, M.K. Korotin, V.I. Anisimov, A.J. Freeman
    Orbital ordering in paramagnetic LaMnO3 and KCuF3
    Bulletin of the American Physical Society, vol. 47, N1, part 2, p.731, L20 14, 2002

    (ii) N.I. Medvedeva, J.E. Medvedeva, A.J. Freeman
    Magnetic, structural and mechanical properties of Cr and Cr-Re alloys

March Meeting of the American Physical Society, Seattle, USA, 2001

    (i) J.E. Medvedeva, V.A. Anisimov, O.N. Mryasov, A.J. Freeman
    Coulomb correlation and magnetic ordering in double-layered LaSr2Mn2O7
    Bulletin of the American Physical Society, vol. 46, N1, part 1, p.167, C24 11, 2001

    (ii) N.I. Medvedeva, A.L. Ivanovskii, J.E. Medvedeva, A.J. Freeman
    Electronic structure and superconductivity in MgB2 and related binary and ternary borides
    Special Session on superconductivity in MgB2

    (iii) D.L. Novikov, N.I. Medvedeva, J.E. Medvedeva, A.J. Freeman, J.D. Jorgensen
    Effect of hydrostatic pressure on the electronic properties and Tc in superconducting MgB2
    Special Session on superconductivity in MgB2

Tutor at the Workshop on Correlation Effects in Electronic Structure Calculations, Trieste, Italy, June, 2000

4th Russian-German Symposium on Physics and Chemistry of Novel Materials, Ekaterinburg, Russia, February, 1999
    J.E. Medvedeva, N.I. Medvedeva, V.A. Anisimov, A.J. Freeman
    The effect of Coulomb interaction and magnetic ordering on the electronic structure of two hexagonal YMnO3 phases
    No.1, p.2.4, 1999

International Workshop on Computational Approach to Electronic Correlations in Solids, Dresden, Germany, May, 1998
    J.E. Medvedeva
    Ab-initio dynamical mean-field calculation of photoemissision spectra of La1-xSrxTiO3

All-Russian scientific conference: "Oxides: physical and chemical properties and technology", Ekaterinburg, Russia, 1998
    J.E. Medvedeva
    Electronic structure and phase transitions in YMnO3
    Oxides: physical and chemical properties and technology, p.156, 1998

Second Ural Crystallographical Conference, Syktyvkar, Russia, April, 1998
    J.E. Medvedeva, N.I. Medvedeva, A.L. Ivanovsky
    Stability analisis of the different crystallogical type of 4d-5d transition metal diborides
    Crystallography-98, N 2, pp.23, 1998

March Meeting of the American Physical Society, Kansas City, USA, 1997
    Y.E. Medvedeva, N.I. Medvedeva, O.N. Mryasov, D.L. Novikov, A.J. Freeman
    Magnetic and ferroelectric ordering in YMnO3
    Bulletin of the American Physical Society, vol.42, No.1, p.322, G23 11, 1997

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Personal

Born in Ekaterinburg (former Sverdlovsk), Russia
Married

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