Christina E. Lekka

02091601

  •   Lecturer at Department of Materials Science and Engineering, University of Ioannina, Ioannina, Greece 

  •  Visiting Research Scientist, School of Computational Sciences, George Mason University


    Email : lekka@cluster.gmu.edu

    		•


    Education

    B.Sc. in Physics (1996), Physics Department, University of Ioannina, Greece
    M.Sc. in Physics (1999), Physics Department, University of Ioannina, Greece, Thesis: "Study of the vibrational and structural properties of the low index Cu3Au surfaces with and without Cu or Au adatoms by Molecular Dynamics Simulations".
    Ph.D. in Physics (2001), Physics Department, University of Ioannina, Greece, Thesis: "Properties of the ordered A3B alloy surfaces (Cu3Au, Ni3Al): Computer simulations study".

    Past appointments

  •  2002 Postdoctoral Research assistant at the School of Computational Sciences, George Mason University, Fairfax VA, USA and the Center for Computational Materials Science, Naval Research Laboratory,Washington D.C., USA.

    • Research interests

    · Classical Semi-empirical Simulations of solid state systems (emphasis on metals and alloys).
    · Tight Binding Molecular Dynamics Simulations of BCC metals (using the NRL code)
    · Total energy and band structure calculations (using the corresponding NRL packages)
    · Electronic structure and computer simulations of Biological systems (DFT, DFTB calculations)

    Teaching experience

  • Teaching courses on:
    1. General Physics (electricity-magnetism, optics)
    2. Introduction to Solid Sate Physics
    3. Introduction to computer simulations
    4. Advanced computational techniques in Materials Science

    Publications

    1. Self-diffusion processes of Cu adatom on Cu(110) surface by Molecular Dynamics Simulations, G.A. Evangelakis, D.G. Papageorgiou, G.D. Kallinteris, Ch.E. Lekka, N.I. Papanikolaou, Vacuum, 50, 165 (1998)
    2. Transferability of Slater-Koster parameters, Ch.E .Lekka, G.A. Evangelakis, N.I. Papanicolaou, D.A. Papaconstantopoulos ,J. Phys. and Chem. Solids. 62 (2001) 753.
    3. Diffusion processes of Au and Cu adatoms on the Cu3Au(001) surface, Ch.E. Lekka, G.A. Evangelakis, Surf. Sci. 473 (2001) 39.
    4. Molecular dynamics study of the ordered Cu3Au. I Vibrational and structural properties of the low-indexed Cu3Au surfaces by Molecular Dynamics Simulations, Ch.E. Lekka, N.I. Papanicolaou, G.A. Evangelakis, Surf. Sci. 479 (2001) 287.
    5. Molecular dynamics study of the ordered Cu3Au. II Vibrational properties of the Cu and Au adatoms on the ordered low-idex Cu3Au surfaces by Molecular Dynamics Simulations, Ch.E. Lekka, N.I. Papanicolaou, G.A. Evangelakis Surf. Sci. 488 (2001) 269.
    6. Molecular Dynamics study of the transport and structural properties of the Cu3Au(110) and Ni3Al(110) surface, Ch.E. Lekka, D.G. Papageorgiou, G.A. Evangelakis Surf. Sci. 518 (2002) 111.
    7. Diffusion driven Cu3Au and Ni3Al (001) surface re-arrangement, Ch.E. Lekka, G.A. Evangelakis, Appl. Surf. Sci. 205 (2003) 2080.
    8. Molecular Dynamics study of Cu and Au 2D adlayers on the Cu3Au(110) surface, D.G. Papageorgiou, Ch.E. Lekka, G.A. Evangelakis, Appl. Surf. Sci. 219 (2003) 64.
    9. Transport processes and structural properties of the Cu3Au and Ni3Al(111) surface by Molecular Dynamics, Ch.E. Lekka, D.G. Papageorgiou and G.A. Evangelakis, Surf. Sci. 541 (2003) 182.
    10. Electronic structure of the Cu3Au(111) surface, Ch.E. Lekka, N. Bernstein, M.J. Mehl and D.A. Papaconstantopoulos, Appl. Surf. Sci. 219 (2003) 158.
    11. Tight binding molecular dynamics simulations of Nb surfaces and surface defects, Ch.E. Lekka, M.J. Mehl, N. Bernstein, D.A. Papaconstantopoulos, Phys. Rev. B68 (2003) 35422.
    12. Electronic, Structural and Thermodynamic properties of icosahedral free and supported Al clusters on Al surfaces from Tight Binding and classical Molecular Dynamics simulations, P. Mitev, D.G. Papageorgiou, Ch.E. Lekka and G.A. Evangelakis to appear in Surf.Sci.

    Publications in conference proceedings with referees

    1. Adatoms or vacancies on the A3B (001) surface, Ch.E. Lekka, G.A. Evangelakis, Atomistic Aspects of Epitaxial Growth, 51-61, Eds. M.Kortla, 2002 Kluwer Academic Publishers.
    2. Vibrational and structural properties of the Nb(001) surface with or without a Nb adatom by Tight Binding Molecular Dynamics Simulations, Ch.E. Lekka, G.A. Evangelakis, N.I. Papanicolaou and D.A. Papaconstantopoulos, Atomistic Aspects of Epitaxial Growth, 43-49, Eds. M.Kortla, 2002 Kluwer Academic Publishers

    Presentations in international conferences

    1. European research conference on: Total energy calculations to study the dynamics of surface processes, Corfu, Greece (25-27)-6-1997
    2. European research conference on: Computational physics for nanotechnology Il Ciocco, Tuscany , Italy (19-24)-9-1998 «Dynamical Behavior and diffusion of the Cu(Au) adatoms on Cu3Au by molecular dynamics simulations» Ch.E. Lekka,N.I .Papanicolaou,G.A. Evangelakis.
    3. International NATO School (ASI) of liquid crystal: Advances in the computer simulations of liquid crystals Erice ,Sicily (11-21)-6-1998 «Vibrational properties of the low index Cu3Au surfaces with and without Cu(Au) adatoms by molecular dynamics» Ch.E. Lekka, N.I. Papanicolaou,G.A. Evangelakis
    4. European research conference on : Electronic structure of solids & surfaces, Lenggries, Germany (18-23) September 1999 «Rippling effect of the order low index Cu3Au faces by Molecular Dynamics Simulations» Ch.E. Lekka, N.I. Papanicolaou, G.A. Evangelakis
    5. American Physical Society (APS) March 1999, Atlanta (USA) «On the transferability of the Slater Koster parameter» Ch.E. Lekka, G.A. Evangelakis, N.I Papanikolaou, D.A. Papaconstantopoulos
    6. European research conference on: Fundamental aspects of Surface Science, Epitaxial Growth and Nanostructures at Surfaces Castelvecchio Pascoli, Tuscany , Italy (7-12)-10-2000 «Diffusion processes of Au and Cu adatoms on the Cu3Au(001) surface», Ch.E. Lekka and G.A. Evangelakis
    7. Nato Advance Research Workshop on: "Atomistic Aspects of Epitaxial Growth", Corfu (25-30) June 2001
    7.1. Adatoms or vacancies on the A3B (001) surface, Ch.E. Lekka, G.A. Evangelakis
    7.2. Vibrational and structural properties of the Nb(001) surface with or without a Nb adatom by Tight Binding Molecular Dynamics Simulations, Ch.E. Lekka, G.A. Evangelakis, N.I. Papanicolaou and D.A. Papaconstantopoulos
    8. American Physical Society (APS) , Indianapolis, Indiana, USA (March 2002), «Structural, vibrational and transport properties of ordered Cu3Au and Ni3Al low index surfaces», Ch.E. Lekka
    9. Workshop on the WIEN2002 package, State College, Pennsylvania, USA (22-25 July 2002), «Structural and electronic properties of Nb low index surfaces», Ch.E. Lekka, N. Bernstein, M.J. Mehl and D.A. Papaconstantopoulos
    10. Applied Surface Modeling: Experiment, Theory and Simulations, Cleveland, Ohio, USA (21-23 August 2002) «Structural and electronic properties of the Cu3Au(111) surface», Ch.E. Lekka, N. Bernstein, M.J. Mehl and D.A. Papaconstantopoulos
    11. European research conference on Understanding and Improving Specific Interactions: Biological surfaces and interfaces, Il Ciocco, Castelvecchio Pascoli , Italy (21-26)-6-2003 «Electronic and optical properties of adsorpted biomolecules (adenine) on graphite substrate» Ch.E. Lekka, E. Kaxiras
    12. 22nd European conference on Surface Science, ECOSS, Praha (7-12)-9-2003:
    12.1. Electronic and optical properties of adsorbed biomolecules (adenine-cytosine), Ch.E. Lekka, G. Zonios, E. Kaxiras.
    12.2. Electronic, structural and thermodynamic properties of isohedral free and deposited Al clusters on Al surfaces from Tight Binding and Molecular Dynamics simulations, P. Mitev, D.G. Papageorgiou, Ch.E. Lekka, G.A. Evangelakis

    Collaborators

    At GMU: E. Blaisten-Barojas and D. Papaconstantopoulos.
    At U. of Ioannina: G.Evangelakis, D.Papageorgiou. 
    At NRL: M. Mehl.