PCSI 2010                                        

Our research is focused on quantum theory of real materials, and in particular, on electronic materials used in the Information Technology. Owing to complexity of these problems our research requires high performance computing most of which is done at the Texas Advanced Computing Center (TACC). When possible we try to work in close collaboration with experimnetalists in academia and industry. Recently, the focus of our research has been on multifunctional oxide nanostructures. Below is the list of our most recent papers, you can get a more detailed view of our activities by going to the full list of publications.

• O. Sharia, K. Tse, J. Robertson and A.A. Demkov, "Extended Frenkel pairs and band alignment at metal-oxide interfaces", Phys. Rev. B.78, 125305 (2009)
• Na Sai, C.J. Fennie, and A.A. Demkov, "Absence of critical thickness in an ultrathin improper ferroelectric film", Phys. Rev. Lett. 102 107601 (2009).
• J.K. Lee and A.A. Demkov, "Charge origin and localization at the n-type STO/LAO interface", Phys. Rev. B.78, 193104 (2008)
• X. Luo, A.A. Demkov, D. Triyoso, P. Fejes, R. Gregory, and S. Zollner, "Combinde experimental and theoretical study of thin hafnia films", Phys. Rev. B 78, 245314 (2008).
• H. Bentamnn, A.A. Demkov, R. Gregory, and S. Zollner, "Electronic, optical, and surface properties of PtSi thin films", Phys. Rev. B 78, 205302 (2008).
• O. Sharia, A.A. Demkov, G. Bersuker, and B.H. Lee, "Effects of aluminum incorporation on band alignment at the SiO₂/HfO₂ interface", Phys. Rev. B 77, 085326 (2008).
• J. Robertson, O. Sharia and A.A. Demkov. "Fermi level pinning by defects in HfO₂-metal gate stacks", Appl. Phys. Lett. 91, 132912 (2007)
• N. Sai, C. Fennie, A.A. Demkov, "Spin-filtering multiferroic-semiconductor heterojunction", Appl. Phys. Lett. 91, 202910 (2007).

• N. Sergueev, A.A. Demkov, and H. Guo, "Inelastic resonant tunneling in C₆₀ molecular junctinos", Phys. Rev. B 75, 233418 (2007).