Advanced Atomic Design Lab
The Alex Demkov Group

Patents

US Patent Number 6,479,173 "Semiconductor structure having a crystalline alkaline earth metal silicon nitride/oxide interface with silicon" issued 11/12/2002.

US Patent Number 6,693,033 "Method of removing an amorphous oxide from a monocrystalline surface" issued 02/17/2004.

US Patent Number 6,791,125 "Semiconductor device structures utilizing metal sulfides" issued 09/14/2004.

US Patent Number 7,091,568 "Electronic device including dielectric layer, and a process for forming the electronic device" issued 08/15/2006.

US Patent Number 7,141,857 "Semiconductor structures and methods of fabricating semiconductor structures comprising hafnium oxide modified with lanthanum, a lanthanide-series metal, or a combination thereof" issued 11/28/2006.

US Patent Number 7,235,847 "Semiconductor device having a gate with a thin semiconductive layer" issued 07/26/2007.

US Patent Number 7,365,410 "Semiconductor structure having a metallic buffer layer and method for forming" issued 04/29/2008.

Publications

  1. A.A. Demkov, and O.F. Sankey, "Theoretical investigation of random Si-C alloys", Phys. Rev. B 48, 2207 (1993).
  2. O.F. Sankey, A.A. Demkov, W.T. Petuskey, and P.F. McMillan, "Energetics and electronic structure of the hypothetical zinc blende form of GeC", Modeling Simul. Mater. Sci.Eng.  1, 741 (1993).
  3. G.B. Adams, M. O'Keeffe, A.A. Demkov, O.F. Sankey, and Y. Huang, "Wide-band-gap Si in open fourfold-coordinated clathrate structure", Phys. Rev. B 49, 8048 (1994).
  4. J. Ortega, A.A. Demkov, and O.F. Sankey, "Chemisorption of In and Al on GaAs (110)", J. Appl. Phys. 76, 2918 (1994).
  5. A.A. Demkov, O.F. Sankey, K.E. Schmidt, G.B. Adams, and M. O'Keeffe, "Theoretical investigation of alkali-metal doping in Si clathrates", Phys. Rev. B 50, 17001 (1994).
  6. A.A. Demkov, O.F. Sankey, S. Daftuar, and J. Gryko, "Wide band gap Si by bending bonds in four-coordinated clathrate structures", Proceedings of ICPS-22, Vancouver, Canada, D.J. Lockwood ed., p. 2205, (World Scientific, New Jersey, 1995).
  7. A.A. Demkov, J. Ortega, M.P. Grumbach, and O.F. Sankey, "Electronic structure approach for complex silicas", Phys. Rev. B 52, 1618 (1995).
  8. A.A. Demkov, and O.F. Sankey, "Electronic structure theory for zeolites" (invited review), in  "Access in Nanoporous Materials",T.J. Pinnavaia and M.F. Thorpe Eds., p. 27 (Plenum Press, New York, 1995).
  9. A.A. Demkov, W. Windl and O.F. Sankey, "Expanded-Volume Phases of Silicon: Zeolites without Oxygen", Phys. Rev. B 53, 11288 (1996).
  10. A.A. Demkov, and O.F. Sankey, "Clusters stuffed inside frameworks: electronic structure theory", J. Computer Aided Materials Design 3, 128 (1996).
  11. A.A. Demkov, and O.F. Sankey, "Recent developments in the theory of supralattices" (review), Chem. Mater. 8, 1793 (1996).
  12. A.A. Demkov, and O.F. Sankey, "Model simulations of Supralattices: semiconductor Si clusters in Zeolites'', Phys. Rev. B 56, 10497 (1997).
  13. A.A. Demkov, O.F. Sankey, J. Gryko, and P.F. McMillan, ¡°Theoretical Predictions of Expanded-Volume Phases of GaAs'', Phys. Rev. B 55, 6904 (1997)
  14. A.A. Demkov, and O.F. Sankey, "Supralattices: another dimension in materials science - theoretical investigation", in "Studies in Surface Science and Catalysis", H.C. Chon and Y.S. Uh Eds., p. 2259 (Elsevier, Amsterdam, 1997).
  15. J. Gryko, P.F. McMillan, R.F. Marzke, A.A. Demkov, and O.F. Sankey, "Temperature and Larmor frequency dependence of 23Na NMR shifts in silicon clathrates", Phys. Rev. B 57, 4172 (1998).  
  16. O.F. Sankey, A.A. Demkov, W. Windl, J.H. Fritsch, J.P. Lewis, and M. Fuentes-Cabrera, "On the application of approximate density functionals to complex systems", Int. J. of Quantum Chem. 69, 327 (1998).
  17. A.A. Demkov and O.F. Sankey, "Theoretical investigation of supralattices: selenium clusters in zeolites", Microporous and Mesoporous Mater. 21, 347 (1998).
  18. A.A. Demkov, O.F. Sankey, and M. Fuentes, "Structural band gap engineering", in "Materials and Devices of Silicon-Based Optoelectronics", J.E. Cunningham, S. Coffa, Polman and R. Soref, p. 355 (Materials Research Society Vol. 486, 1998).
  19. O.F. Sankey, A.A. Demkov, and T. Lenosky, "Electronic Structure of Black Sodalite", Phys. Rev. B 57, 15129 (1998).
  20. W. Windl and A.A. Demkov, "First-Principles Study of N Impurities in SiC Polytype", in "Defect and Impurity Engineered Semiconductors II", S. Ashok, J. Chevallier, K. Sumino, B.L. Sopori, and W. Gotz, p. 181 (Materials Research Society Vol. 510, 1998).
  21. J. Dong, O.F. Sankey, A.A. Demkov, G. Ramachandran, J. Gryko, P. McMillan, and W. Windl, "Theoretical calculations of the vibrational modes in Ge46 clathrate and related MxGayGe46-y type clathrates", p. 443 (Materials Research Society Vol. 545, 1999).
  22. A.A. Demkov and O.F. Sankey, "Growth study and theoretical investigation of the ultra-thin oxide SiO2-Si heterojunction", Phys. Rev. Lett. 83, 2038 (1999).
  23. M. Fuentes-Cabrera, et al.,"Theoretical study of graphitic analogs of simple semiconductors", Modeling and Sim. in Materials Science and Eng. 7, 929 (1999).
  24. Korkin, A.A.  Demkov, N. Tanpipat, and J. Andzelm,"Atomistic Modeling of Chemical Vapor Deposition: Silicon Oxynitride", MSI, Inc. Webpage http://www.msi.com/materials/cases/SiNO.html. (1999).
  25. A.A. Demkov, R. Liu, X. Zhang, and H. Loechelt, "Theoretical and experimental investigation of ultra-thin oxynitrides and the role of nitrogen at the Si-SiO2 interface", Journal of Vacuum Science and Technology B 18, 2388 (2000).
  26. A.A. Demkov and R. Liu, "Theoretical and experimental investigation of ultrathin oxynitride", Mat. Res. Soc. Proceedings 592, 257 (2000).
  27. Korkin, A.A. Demkov, N. Tanpipat, and J. Andzelm,"Theoretical investigation of the initial reaction of the NO decomposition on the Si (100) (2x1) reconstructed surface", Journal of Chemical Physics 113, 8237 (2000).
  28. A.A. Demkov, et al., "Theoretical and experimental analysis of the low dielectric constant of fluorinated silica", Mater. Res. Soc. Proceedings 579, 255 (2000).
  29. S. Zollner, A.A. Demkov, R. Liu, P.L.  Fejes, R.B. Gregory, P. Alluri, J. A. Curless, Z. Yu, J. Ramdani, R. Droopad, T.E. Tiwald, J.N. Hilfiker, and J.A. Woollam, "Optical properties of bulk and thin-film SrTiO3 on Si and Pt", Journal of Vacuum Science and Technology B 18,2242 (2000).
  30. A.A. Demkov, R. Liu, S. Zollner, M. Kottke, D. Werho, et al., "Theoretical and experimental analysis of the low dielectric constant of fluorinated silica", Materials Research Society Proceedings 612,  (2000).
  31. N. Tanpipat, J. Andzelm, B. Delley, A.A. Korkin, and A.A. Demkov, "Atomistic Modeling of Chemical Vapor Deposition: NO on the Si (001) (2x1) reconstructed surface", The Electrochemical Society, Proceedings Volume 2000-13.
  32. A.A. Demkov, X. Zhang, H. Loechelt, "Theoretical investigation of ultrathin gate dielectrics", VLSI Design 13, 135 (2001).
  33. M. Mollat, A.A. Demkov, and P.L. Fejes, "Stable titanium silicide formation on field oxide after BF2 ion implantation", Journal of Vacuum Science and Technology B 19, 372 (2001).
  34. A.A. Demkov and X. Zhang, "Theoretical investigation of gate dielectrics", Proceedings of the IEEE 27th International Symposium on Compound Semiconductors, 155 (2001).
  35. A.A. Demkov, "Investigating Alternative Gate Dielectrics: A Theoretical Approach", phys. stat. sol. (b) 226, 57 (2001).
  36. J.P. Lewis, K.R. Glaesemann, G.A. Voth, J. Fritsch, A.A. Demkov, J. Ortega, and O.F. Sankey, "Further developments in the local-orbital density-functional-theory tight-binding method", Phys. Rev. B 64, 195103  (2001).
  37. A.A. Demkov, X. Zhang and D.A. Drabold, "Towards a first-principles simulation and current-voltage characteristic of atomistic metal-oxide-semiconductor structures", Phys. Rev. B 64, 125306-1 (2001).
  38. A.A. Demkov and O.F. Sankey, "Theory of zeolite supralattices: Se in zeolite LTA", Journal of Physics, Condensed Matter 13, 10433 (2001).
  39. W. Windl, A.A. Demkov, and O.F. Sankey, "Theory of strain and electronic structure of Si1-yCy and Si1-x-yGexCy alloys¡±"in  "Silicon-Germanium Carbon Alloys¡±, S. Pantelides and S. Zollner Eds.  p. 237 (Taylor&Francis, 2002).
  40. X. Zhang and A.A. Demkov, "Steps on the (001) SrTiO3 surface", Journal of Vacuum Science and Technol. B 20, 1664 (2002).
  41. Yi Wei, X. Hu, Y. Liang, D. Jordan, B. Craigo, R. Droopad, Z. Yu, A. Demkov, J. Edwards Jr., and W. Ooms, "Si (001) surface cleaning using Sr or SrO", Materials Research Society Proceedings 716, B3.4.1  (2002).
  42. Yi Wei, X. Hu, Y. Liang, D. Jordan, B. Craigo, R. Droopad, Z. Yu, A. Demkov, J. Edwards Jr., and W. Ooms, "Mechanism of cleaning Si (001) surface using Sr or SrO for the growth of crystalline SrTiO3 films", Journal of Vacuum Science and Technol. B 20, 1402 (2002).
  43. R. Liu et al., "Materials and physical properties of novel high-k and medium-k gate dielectrics", Materials Research Society Proceedings 670, p. K.1.1.1 (2002).
  44. X. Zhang, L. Fonseca, and A.A. Demkov, "First –principles study of electron transport through atomistic metal-oxide-semiconductor structures", in Proceedings of the 2002 International Conference on Computational Nanoscience, ICCN 2002, M. Laudon and B. Romanowicz, Eds. p. 322, (Computational Publications, 2002).
  45. X. Zhang, L. Fonseca, and A.A. Demkov, "The application of density functional, local orbitals, and scattering theory to quantum transport", phys. stat. sol. (b) 233, 70 (2002).
  46. S. Gonzalez, D. Vasileska, and A. A. Demkov, "Empirical pseudopotential method for the band structure calculation of strained silicon germanium materials", Journal of Computational Electronics 1, 179 (2002).
  47. H.Li, X. Hu, Y. Wei, Z. Yu, X. Zhang, R. Droopad, A.A. Demkov, J. Edwards, K. Moore, and W. Ooms, "Two dimensional growth of high quality SrTiO3 thin films on Si", J. of Appl. Phys. 93,4521(2003).
  48. X. Hu et al., "The interface of epitaxial SrTiO3 on silicon: in-situ and ex-situ studies", Appl. Phys. Lett. 82, 203 (2003).
  49. R. Droopad, Z. Yu, Hao Li, Y. Liang, C. Overgaard, A.A. Demkov, X. Zhang, K. Moore, K. Eisenbeiser, Hu, J. Curless, and J. Finder,"Development of Integrated Heterostructures on Silicon by MBE", Journal of Crystal Growth, 251, 638 (2003).
  50. X. Zhang, A.A. Demkov, H. Li, X. Hu, Y. Wei, and J. Kulik, "The atomic and electronic structure of the Si /SrTiO3 interface", Phys. Rev. B 68, 125323 (2003).
  51. L. Hilt Tisinger, R. Liu, J. Kulik, X. Zhang, J. Ramdani, and A.A. Demkov, "Raman Studies of SrTiO3 Thin Films on Si", Journal of Vacuum Science and Technol. B 21, 53 (2003).
  52. L. Fonseca, and A.A. Demkov, "Convergence issues in ab-initio transport calculations through oxide barriers and molecules", Proceedings of the 2003 International Conference on Computational Nanoscience, ICCN 20 vol.2 , p.86-9, M. Laudon and B. Romanowicz, Eds., (Computational Publications, 2003).
  53. S.V. Ushakov, C.E. Brown, A. Navrotsky, A.A. Demkov, C. Wang, and B.-Y. Nguyen,"Thermal analyses of bulk amorphous oxides and silicates of zirconium and hafnium." Materials Research Society Symposium Proceedings, 745 p. 3-8 (2003).
  54. L. Fonseca, A.A. Demkov, and A. Knizhnik, "Difficulties of the microscopic theory of leakage current through ultra-thin oxide barriers: point defects", phys. stat. sol. (b) 239, 48 (2003).
  55. L. Fonseca, A. Korkin, A.A. Demkov, X. Zhang, and A. Knizhnik, "Atomistic calculation of leakage current through ultra-thin metal-oxide barriers", Microelectronic Eng. 69, 130 (2003).
  56. J. Sexton, S.I. Yi, M. Hale, P. Kruse, A.A. Demkov, and A. Kummel, "Displacement of Surface Arsenic Atoms by Insertion of Oxygen Atoms into As-Ga Backbonds", J. of Chem. Phys. 119, 9191 (2003).
  57. E. Chagarov, A.A. Demkov, and J. Adams,"Ab-initio calculations of surface phase diagrams of silica polymorphs", accepted  for publication in the Physical Review B.
  58. X. Zhang and A.A. Demkov, "A theoretical study of Sr-induced reconstructions of the Si (001) surface", submitted for publication in the Physical Review B.
  59. S. B. Samavedam, L. B. La, P. J. Tobin, B. White, C. Hobbs, L. R. C. Fonseca, A. A. Demkov, et al.,"Fermi Level Pinning with Sub-monolayer MeOx and Metal Gates", IEEE International Electron Devices Meeting 2003 p.13.1.1 (2003).
  60. R. Droopad, K. Eisenbeiser, and A. A. Demkov, "High-K Crystalline Gate Dielectrics – An IC Manufacturer's Perspective" in "Alternative Gate Dielectrics", H. Huff and D. Gilmer Eds.  (Springer, 2004).
  61. A.A. Demkov, L. Fonseca, J. Tomfohr, and O.F. Sankey, "A band alignment problem at the Si-high-k dielectric interface", Mater. Res. Soc. Proceedings, Vol.786, 29 (2004).
  62. A.A. Demkov, L. Fonseca, J. Tomfohr, and O.F. Sankey, "Complex band structure and the band alignment problem at the Si-high-k dielectric interface", Phys. Rev. B 71, 195306 (2005).
  63. S. V. Ushakov, A. Navrotsky, Y. Yang, S. Stemmer, K. Kukli, M. Ritala, M. A. Leskelä, P. Fejes, A.A. Demkov, C. Wang, B.-Y. Nguyen, D. Triyoso, and P. Tobin, "Crystallization in hafnia- and zirconia-based systems", phys. stat. sol. (b), 241, 2268 (2004).
  64. Y. Liang and A. A. Demkov, "Epitaxial Oxide/.Semiconductor Systems" in "Materials Fundamentals of Gate Dielectrics", A. A. Demkov and A. Navrotsky Eds.  (Springer, 2005).
  65. M. Niranjan, S. Zollner, L. Kleinman, and A.A. Demkov, "Theoretical investigation of PtSi surface energies and work functions" Phys. Rev. B 73, 195332 (2006).
  66. A.A. Demkov, "Thermodynamic stability and band alignment at a metal high-k dielectric interface", Phys. Rev. B 74, 085310 (2006).
  67. C.M. Osburn, S.A. Campbell, A.A. Demkov, E. Eisenbraun, E. Garfunkel,  T. Gustafsson,  A.I. Kingon, J. Lee, D.J. Lichtenwalner, G. Lucovsky,  T.P. Ma,  J.P. Maria, V. Misra, R.J. Nemanich, G.N. Parsons, D.G. Schlom, S. Stemmer, R.M. Wallace, and J. Whitten, "Materials and Processes for High k Gate Stacks: Results from the FEP Transition Center", (invited) ECS Transactions 3, 389 (2006).
  68. A.A. Demkov, O. Sharia, X. Luo, and J. k. Lee, "Density functional theory of high-k dielectric gate stacks", (invited), Microelectronics Reliability 47, 686 (2007).
  69. O. Sharia, A.A. Demkov, G. Bersuker, and B.H. Lee, "Theoretical study of the insulator/insulator interface: band alignment at the SiO2/HfO2 junction", Phys. Rev. B. 75, 035306 (2007).
  70. S. Zollner, J.P. Liu, P. Zaumseil, H.J. Osten and A.A. Demkov, "Dielectric functions, elasto-optical effects, and critical-point parameters for biaxially stressed Si1-yCy alloys on Si (001)",  Semiconductor Sci. and Technol. 22, S13 (2007).
  71. M. Niranjan, L. Kleinman, and A.A. Demkov, "Theoretical investigation of Pt monosilicide and several germanides: electronic structure, surface energetics, and work functions", accepted, (Materials Research Society Symposium Proceedings, 2007).
  72. A.A. Demkov and J. Lee, "Band alignment at the LaAlO3/SrTiO3 interface", accepted, (Materials Research Society Symposium Proceedings, 2007).
  73. M. Niranjan, L. Kleinman, and A.A. Demkov, "Theoretical investigation of PtGe and NiGe", Phys. Rev. B. 75, 085326 (2007).
  74. N. Sergueev, A.A. Demkov, and H. Guo, "Probing molecular vibrations with inelastic resonant tunneling", Phys. Rev. B. 75, 233418 (2007).
  75. A.A. Demkov, O. Sharia, and J.K. Lee, "Theoretical analysis of high-k dielectric gate stacks", Microelectronics Engineering 84, 2032 (2007).
  76. J. Robertson, O. Sharia, and A.A. Demkov, "Fermi level pinning by defects in HfO2-metal gate stacks", Appl. Phys. Lett. 91, 132912 (2007).
  77. Na Sai, J.K. Lee, C.J. Fennie, and A.A. Demkov, "Spin dependent Schottky barrier at the YMO3/GaN interface", Appl. Phys. Lett. 91, 202910, (2007).
  78. O. Sharia, A.A. Demkov G. Bersuker and B.H. Lee,"On the role of Al doping at the HfO2/SiO2 interface", Phys. Rev. B 77, 085326 (2008).
  79. M. Niranjan, L. Kleinman, and A.A. Demkov, "Theoretical investigation of bonding and Schottky barrier height at the GaAs(001)/NiGe(001) interface: an ab-initio study",  Phys. Rev. B 77, 15316 (2008).
  80. X. Zhang and A.A. Demkov, "A theoretical study of Sr-induced reconstructions of the Si (001) surface", J. of Appl. Phys. 103, 103710 (2008).
  81. H. Bentmann, S. Zollner, R. Gregory and A.A. Demkov, "Surface properties of PtSi thin films", Phys. Rev. B 78, 205302 (2008).
  82. J.K. Lee and A.A. Demkov, "Charge origin and localization at the n-type STO/LAO interface", Phys. Rev. B 78, 193104 (2008).
  83. X. Luo, A.A. Demkov, D. Triyoso, P. Fejes, R. Gregory and S. Zollner, "Combined experimental and theoretical study of thin hafnia films", Phys. Rev. B 78, 245314 (2008). 
  84. A.A. Demkov, “Density functional theory of high-k dielectric gate stacks”, in Nanoelectronics and Photonics, A. Korkin, and F. Rosei (eds.) p. 171 (Springer, 2008).
  85. O. Sharia, K. Tse, J. Robertson and A.A. Demkov, “How defects at metal-oxide interfaces modify band alignment”, Phys. Rev. B 79, 125305 (2009).
  86. Na Sai, C.J. Fennie, and A.A. Demkov, “The absence of critical thickness in an ultrathin improper ferroelectric film”, Phys. Rev. Lett. 102, 107601 (2009).
  87. A.A. Demkov, O. Sharia, X. Luo, G. Bersuker, and J. Robertson, “Modeling complexity of complex oxides’, Microel. Engineering 86, 1763 (2009).
  88.  H. Bentmann, J, Houser, and A.A. Demkov, “Ab initio study of In absorption and …”, Phys. Rev. B 80, 085311 (2009).
  89. X. Luo, O. Sharia, G. Bersuker, and A.A. Demkov, “Hafnia surface and high-k gate stacks”, Materials Research Society Symposium Proceedings, Vol. 1155, p.71 (2009).
  90. X. Luo, W. Zhou, S. Ushakov, A. Navrotsky and A.A. Demkov, “Combined theoretical and experimental study of the martensitic phase transition in monoclinic hafnia and zirconia”, Phys. Rev. B 80, 134119 (2009).
  91. T. Cai, Q. Niu, J.K. Lee, Na Sai, and   A.A. Demkov, “Magnetoelectric Coupling and Electric Control of Magnetization in Ferromagnet-Ferroelectric-Metal Superlattices”, Phys. Rev. B 80, 140415(R) (2009).
  92. N. Sergueev and A.A. Demkov, “Resonant inelastic charge transfer in short alanine bridges”, Phys. Rev. B 81, 045112 (2010).
  93. A.A. Demkov, X. Luo and O. Sharia, “Theory of HfO2-based high-k dielectric gate stacks”, in Fundamentals of III-B Semiconductor MOSFET’s, S. Oktyabrsky and P. Ye (eds.), p. 51 (Springer 2010).
  94. J.K. Lee, Na Sai, T. Cai, Q. Niu and   A.A. Demkov, “Interfacial Magnetoelectric Coupling in Tri-component Superlattices”, Phys. Rev. B 81, 144425 (2010).
  95. R. Ehlert, J. Kwon, L. Loumakos, O. Sharia, A.A. Demkov, and M.C. Downer, “Optical second-harmonic and reflectance-anisotropy spectroscopy of clean and hydrogen-terminated vicinal Si(001) surfaces”, J. Opt. Soc. Am. B 27, 981 (2010).
  96. G. Bersuker, C. S. Park, H. C. Wen, K. Choi, O. Sharia, and A.A. Demkov, “Origin of the flat-band voltage roll-off phenomenon in metal/high-k gate stacks”, IEEE Transactions on Electron Devices 57, 2047 (2010).
  97. W. Zhou, S. V. Ushakov, T. Wang, J.G. Ekerdt, A.A. Demkov, and A. Navrotsky, “Hafnia: energetics of thin films and nanoparticles”, J. of Appl. Phys. 107, 123514(2010).
  98. J.K Lee, N. Sai, and A.A. Demkov, “Spin-polarized 2DEG through electrostatic doping in LaAlO3-EuO heterostructures”, Phys. Rev. B 82, 235305 (2010).
  99. A. Posadas, M. Berg, H. Seo, D.J. Smith, H. Celio, A.P. Kirk, D. Zhernokletov, R.M. Wallace, A. de Lozanne, and A.A. Demkov, “Strain-induced ferromagnetism in correlated oxide LaCoO3 epitaxially grown on Si (100)”, Appl. Phys. Lett. 98, 055104 (2011). 
  100. A. Slepko, A.A. Demkov, W.I. Loh, P. Majhi, and G. Bersuker, “Work function engineering in silicides: chlorine doping in NiSi”, J. of Appl. Phys.  109, 083703 (2011).
  101. A. Posadas, R. Dargis, M. Choi, A. Slepko, J.J. Kim, D.J. Smith, and A.A. Demkov, “Formation of single-orientation epitaxial islands of TiSi2 on Si (001) using Sr passivation”, J. Vac. Sci. Technol. B 23,  1071 (2011).
  102. A. Posadas, M. Berg, H. Seo, D.J. Smith, H. Celio, A.P. Kirk, D. Zhernokletov, R.M. Wallace, A. de Lozanne, and A.A. Demkov, “Strain-induced ferromagnetism in LaCoO3: Theory and growth on Si (100)”, Microel. Eng. 88, 1444 (2011).
  103.  H. Seo and A.A. Demkov, “First-principles study of polar LaAlO3 (001) surface stabilization by point defects”, Phys. Rev. B 84, 045440 (2011).
  104. A.A. Demkov, A. Posadas, H. Seo, J.K. Lee and N. Sai, “Emerging physics of oxide heterostructures”, phys. stat. sol. b, 248, 2076 (2011).
  105. J. P. Lewis, P. Jel´ınek, J. Ortega, A.A. Demkov, et al., “Advances and applications in Fireball ab initio tight binding molecular dynamics formalism”, phys. stat. sol. b, 248, 1989  (2011).
  106. A.A. Demkov, A.B. Posadas, H. Seo and J.K. Lee, “Physics of oxides heterostructures’, ECS Trans. 41, 275 (2011).
  107. A. Slepko, and A.A. Demkov, “First-Principles study of the biomineral hydroxyapatite”, Phys. Rev. B 84, 134108 (2011).
  108. X. Luo, G. Bersuker, and A.A. Demkov, “Band alignment at the SiO2/HfO2 interface: Group IIIA versus IIIB metal dopants”, Phys. Rev. B 84, 195309 (2011).
  109. A.A. Demkov, H. Seo, X. Zhang,, and J. Ramdani, “Using Zintl-Klemm intermetallics in oxide-semiconductor heteroepitaxy”, Appl. Phys. Lett. 100, 071602 (2012).
  110. A. Slepko and A.A. Demkov, “Band engineering in silicide alloys”, Phys. Rev. B 84, (2012).
  111. R. Dargis, E. Arkun, A. Clark, R. Roucka, R. Smith, D. Williams, M. Lebby, and A.A. Demkov, “Rare-earth-metal oxide buffer for epitaxial growth of single crystal GeSi and Ge on Si(111)”, J. of Vac. Sci. Technol. B 30, (2012).
  112. M. Choi, A. Posadas, R. Dargis, C.-K. Shih, A.A. Demkov, D.H. Triyoso, N.D. Theodore, C. Dubourdieu, J. Bruley, and J. Jordan-Sweet, "Strain relaxation in single crystal SrTiO3 grown on Si (001) by molecular beam epitaxy," J. Appl. Phys. 111, 064112 (2012)
  113. A. Slepko and A.A. Demkov, "First principles study of Zintl aluminide SrAl2", Phys. Rev. B 85, 195462 (2012).
  114. A. Rüegg, C. Mitra, A.A. Demkov, and G.A. Fiete "Electronic structure of (LaNiO3)2/(LaAlO3)N heterostructures grown along [111]", Phys. Rev. B 85, 245131 (2012).
  115. M.D. McDaniel, A. Posadas, T.Q. Ngo, A. Dhamdhere, D.J. Smith, A.A. Demkov and J.G. Ekerdt , "Growth of epitaxial oxides on silicon using atomic layer deposition: crystallization and annealing of TiO2 on SrTiO3-buffered Si(001)", J. Vac. Sci. Technol. B 30, 04E111 (2012).
  116. H. Seo, A. B. Posadas, and A.A. Demkov, "Strain-driven spin state transition and superexchange interaction in LaCoO3: Ab initio study", Phys. Rev. B 86, 014430 (2012).
  117. H. Seo, A. B. Posadas, and A.A. Demkov, "First-principles study of the growth thermodynamics of Pt on SrTiO3 (001)", J. Vac. Sci. Technol. B 30, 04E108 (2012).
  118. M.D. McDaniel, A. Posadas, T. Wang, A. A. Demkov, and J. G. Ekerdt, "Growth and characterization of epitaxial anatase TiO2(001) on SrTiO3-buffered Si(001) using atomic layer deposition," Thin Solid Films 520, 6525 (2012).
  119. H. Seo, A. B. Posadas, C. Mitra, J. Ramdani, A. V. Kvit, and A. A. Demkov, "Band alignment and electronic structure of the anatase TiO2/SrTiO3 heterostructure integrated on Si(001)," Phys. Rev. B 86, 075301 (2012).
  120. C. Mitra, C. Lin, J. Robertson, and A. A. Demkov, "Electronic structure of oxygen vacancies in SrTiO3 and LaAlO3," Phys. Rev. B 86, 155105 (2012).
  121. C. Lin, C. Mitra, and A. A. Demkov, "Orbital ordering under reduced symmetry in transition metal perovskites: Oxygen vacancy in SrTiO3," Phys. Rev. B. 86, 161102(R) (2012).
  122. G. S. Rohrer, M. Affatigato, M. Backhaus, R. K. Bordia, H. M. Chan, S. Curtarolo, A. Demkov, J. N. Eckstein, K. T. Faber, J. E. Garay, Y. Gogotsi, L. Huang, L. E. Jones, S. V. Kalinin, R. J. Lad, C. G. Levi, J. Levy, J-P. Maria, L. Mattos Jr., A. Navrotsky, N. Orlovskaya, Carlo Pantano, J. F. Stebbins, T. S. Sudarshan, T. Tani, and K. S. Weil, "Challenges in Ceramic Science: A Report from the Workshop on Emerging Research Areas in Ceramic Science," J. Am. Ceram. Soc. 95, 3699 (2012).
  123. R. Dargis, A. Clark, E. Arkun, R. Roucka, R. Smith, A. A. Demkov, and M. Lebby, "Growth and application of epitaxial heterostructures with polymorphous rare earth oxides," J. Cryst. Growth (2012).
  124. T. Q. Ngo, A. Posadas, M. D. McDaniel, D. A. Ferrer, J. Bruley, C. Breslin, A. A. Demkov, and J. G. Ekerdt, "Epitaxial growth of LaAlO3 on SrTiO3-buffered Si (001) substrates by atomic layer deposition," J. Cryst. Growth 363, 150 (2013)
  125. M. D. McDaniel, A. Posadas, T. Q. Ngo, A. Dhamdhere, D. J. Smith, A. A. Demkov, and J. G. Ekerdt, "Epitaxial strontium titanate films grown by atomic layer deposition on SrTiO3-buffered Si(001) substrates", J. Vac. Sci. Technol. A 31, 01A136 (2013).
  126. A. Slepko, J. Ramdani, and A. A. Demkov, "Schottky barrier at the AlN/metal junction", J. Appl. Phys. 113, 013707 (2013).
  127. M. Choi, A. B. Posadas, H. Seo, R. C. Hatch, and A. A. Demkov, "Charge transfer in Sr Zintl template on Si(001)," Appl. Phys. Lett. 102, 031604 (2013).