Recent Publications

S.Z. Zybin, I.I. Oleynik, M.L. Elert and C.T. White, "Atomistic Study of Diamond Deformation Under Shock Compression", submitted to Phys. Rev. B.Full text...
M. Conroy, I.I. Oleynik, S.V. Zybin, and C. T. White, "Energetic materials at high compression: first-principles density functional theory studies", Proceedings of 13th International Detonation Symposium, Norfolk, VA (2006).
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I.I. Oleynik, M.A. Kozhushner, and V.S. Posvyanskii, "Bound states of tunneling electrons in molecular chains", Phys. Rev. B 74, 165103 (2006).
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I.I. Oleynik, M.A. Kozhushner, V.S. Posvyanskii, and L. Yu, "Rectification mechanism in di-block oligomer molecular diodes", Phys. Rev. Let. 96, 096803 (2006).
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I.I. Oleynik, M. Conroy, S.V. Zybin, L. Zhang, A.C. van Duin, W.A. Goddard III and C. T. White, "Energetic materials at high compression: first-principles density functional theory and reactive force field studies", AIP Conf. Proc. 846, 573 (2006).
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I.I. Oleynik, S.V. Zybin, M. L. Elert, and C. T. White, "Nanoscale molecular dynamics simulaton of shock compression of silicon", AIP Conf. Proc. 846, 413 (2006).
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I.I. Oleynik, S.V. Zybin, M. L. Elert, and C. T. White, "Shear stresses in shock-compressed covalent solids", AIP Conf. Proc. 846, 417 (2006).
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M.A. Kozhushner, V.S. Posvyanskii, and I. I. Oleynik, "Tunneling and resonant conductance in one-dimensional molecular structures", Chem. Phys., 319, 368 (2005).
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K.D. Belashchenko, E.Y. Tsymbal, I.I. Oleynik, and M. van Schilfgaarde, "Positive spin polarization in Co/Al₂O₃/Co tunnel junctions driven by oxygen adsorption", Phys. Rev. B 71, 224422 (2005).
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K.D. Belashchenko, E.Y. Tsymbal, M. van Schilfgaarde, D.A. Stewart, I.I. Oleynik, and S.S. Jaswal, "Effect of interface bonding on spin-dependent tunneling from the oxidized Co surface", Phys. Rev. B 69, 174408 (2004).
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D.G. Pettifor, and I.I. Oleinik, "Interatomic bond-order potentials and structural predictions", Prog. Mat. Sci. 49, 285 (2004) (review paper).
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I.I. Oleynik and E.Yu. Tsymbal, "Metal-oxide interfaces in magnetic tunnel junctions", Interface Science 12, 105 (2004) (review paper).
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K.D. Belashchenko, E.Y. Tsymbal, M. van Schilfgaarde, D.A. Stewart, I.I. Oleynik, and S.S. Jaswal, "Spin-dependent tunneling from clean and oxidized Co surfaces", Journal of Magnetism and Magnetic Materials” 272, 1954 (2004).
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S.Z. Zybin, I.I. Oleynik, M.L. Elert and C.T. White, “Nanoscale Modeling of Shock-Induced Deformation of Diamond”, in MRS Proceedings “Synthesis, Characterization and Properties of Energetic/Reactive Nanomaterials, 800, AA7.7 (2004).
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I.I. Oleinik and E.Yu. Tsymbal, "Atomic, Electronic and Magnetic Properties of Magnetic Tunnel Junctions", J. Appl. Phys. 93, 6429 (2003).
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I.I. Oleinik, E.Yu. Tsymbal, and D.G. Pettifor, "Atomic and electronic structure of Co/SrTiO₃/Co magnetic tunnel junctions", Phys. Rev. B 65, 020401 (2002);
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E. Y. Tsymbal, V. M. Burlakov, and I.I. Oleinik, "Spin injection into amorphous semiconductors", Phys. Rev. B 66, 073201 (2002).
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D.G. Pettifor, and I.I. Oleinik, "Analytic bond-order potential for open and close-packed phases", Phys. Rev. B 65, 172103 (2002).
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D.G. Pettifor, I.I. Oleinik, D. Nguyen-Manh, and V. Vitek, "Bond-order potentials: bridging the electronic to atomistic modelling hierarchies'", Comp. Mat. Sci. 23, 33 (2002).
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I.I. Oleinik, E.Y. Tsymbal, and D.G. Pettifor, "First-Principles Modeling of Co/SrTiO₃/Co Magnetic Tunnel Junctions", Mat. Res. Soc. Symp. Proc. 690, F2.6.1171 (2002).
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I.I. Oleinik, E. Yu. Tsymbal, and D.G. Pettifor, "Bonding and cohesive properties of cobalt/alumina magnetic tunnel junctions", Mat. Res. Soc. Symp. Proc. 616, 171 (2001).
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I.I. Oleinik, D.G. Pettifor, A.P. Sutton, C.C. Battaile, D.J. Srolovitz, J.E. Butler, D.S. Dandy, M.P. D'Evelyn and S.J. Harris, "Diamond CVD growth mechanisms and reaction rates from first-principles", Mat. Res. Soc. Symp. Proc. 616, 123 (2001).
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I.I. Oleinik, D.G. Pettifor, A.P. Sutton, and J.E. Butler, "Theoretical studies of surface chemical reactions on CVD diamond surfaces", Diamond and Related Materials, 9, 241 (2000).
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I.I. Oleinik, E. Yu. Tsymbal, and D.G. Pettifor, "Structural and electronic properties of Co/Al₂O₃/Co magnetic tunnel junction", Phys. Rev. B 62, 3952 (2000).
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E.Yu. Tsymbal, I.I. Oleinik and D.G. Pettifor, "Oxygen-induced positive spin polarization from Fe into vacuum barrier", J. Appl. Phys. 87, 5230 (2000).
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D.G. Pettifor and I.I. Oleinik, "Bounded analytic bond-order potentials for sigma and pi bonds", Phys. Rev. Lett. 84, 4124 (2000).
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C.C. Battaile, D.J. Srolovitz, I.I. Oleinik, D.G. Pettifor, A.P. Sutton, S.J. Harris and J.E. Butler, "Etching effects during the chemical vapor deposition of (100) diamond", J. Chem. Phys. 111, 4291 (1999).
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I.I. Oleinik, D.G. Pettifor, A.P. Sutton, C. C. Battaile, D.J. Srolovitz and J.E. Butler, "Surface chemistry of CVD diamond: Linking the nanoscale and mesoscale modelling hierarchies", Mat. Res. Soc. Symp. Proc. 538, 275 (1999).
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D.G. Pettifor and I.I. Oleinik, "Analytic bond-order potentials beyond Tersoff-Brenner. I. Theory", Phys. Rev. B 59, pp. 8487-8499 (1999).
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I.I. Oleinik and D.G. Pettifor, "Analytic bond-order potentials beyond Tersoff-Brenner. II. Application to the hydrocarbons", Phys. Rev. B 59, 8500 (1999).
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G.K. Ivanov, M.A. Kozhushner and I.I. Oleinik, "Localized surface states and their STM images", Chemical Physics Reports 18, 1 (1999).
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