Source: https://web2.ph.utexas.edu/~aadg/publications.html
Timestamp: 2019-04-21 14:04:12+00:00

Document:
US Patent Number 9,023,662 "Efficiently injecting spin-polarized current into semiconductors by interfacing crystalline ferromagnetic oxides directly on the semiconductor material" issued 05/05/2015.
US Patent Number 7,365,410 "Semiconductor structure having a metallic buffer layer and method for forming" issued 04/29/2008.
US Patent Number 7,235,847 "Semiconductor device having a gate with a thin semiconductive layer" issued 07/26/2007.
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 7,091,568 "Electronic device including dielectric layer, and a process for forming the electronic device" issued 08/15/2006.
US Patent Number 6,791,125 "Semiconductor device structures utilizing metal sulfides" issued 09/14/2004.
US Patent Number 6,693,033 "Method of removing an amorphous oxide from a monocrystalline surface" issued 02/17/2004.
US Patent Number 6,479,173 "Semiconductor structure having a crystalline alkaline earth metal silicon nitride/oxide interface with silicon" issued 11/12/2002.
Y. Cho, P. Ponath, L. Zheng, B. Hatanpaa, K. Lai, A. A. Demkov, and M. C. Downer, "Polarization Retention in Ultra-thin Barium Titanate Films on Ge(001)," Appl. Phys. Lett. 112, 162901 (2018).
L. Gao and A. A. Demkov, "Spin-polarized two-dimensional t2g electron gas: Ab initio study of EuO interface with oxygen-deficient SrTiO3," Phys. Rev. B 97, 125305 (2018).
D. Shin and A. A. Demkov, "Theoretical investigation of the band alignment of graphene on a polar SrTiO3 (111) surface," Phys. Rev. B 97, 075423 (2018).
D. J. Smith, H. W. Wu , S. Lu , T. Aoki , P. Ponath , K. D. Fredrickson, M. D. McDaniel, E. Lin, A. B. Posadas, A. A. Demkov , J. G. Ekerdt and M. R. McCartney, "Recent studies of oxide-semiconductor heterostructures using aberration-corrected scanning transmission electron microscopy," J. of Mater. Res. 32, 912 (2017).
P-Y. Chen, A. B. Posadas, S. Kwon, Q. Wang, M. J. Kim, .A. A. Demkov and J. G Ekerdt, "Cubic Crystalline Erbium Oxide Growth on GaN (0001) by Atomic Layer Deposition," J. Appl. Phys. 122, 215302 (2017).
L. Gao, J. Souto-Casares, J. R. Chelikowsky, and A. A. Demkov, "Orientation dependence of the work function for metal nanocrystals," J. Chem. Phys. 147, 214301 (2017).
W. Guo, A. B. Posadas, and A. A. Demkov, "Temperature Dependence of the Morphology and Electronic Structure of Ultrathin Platinum on TiO2-teminatied SrTiO3 (001)," J. Vac. Sci. and Technol. B. 35, 061203 (2017).
T. Hadamek, D. Shin, A. B. Posadas, A. A. Demkov, S. Kwon, Q. Wang and M. Kim, "Hexagonal to monoclinic phase transformation in Eu2O3 thin films grown on GaN (0001)," Appl. Phys. Lett. 111, 142901 (2017).
E. L. Lin, A. B. Posadas, H. W. Wu, D. J. Smith, A. A. Demkov and J. G. Ekerdt, "Epitaxial Growth of Barium Titanate Thin Films on Germanium via Atomic Layer Deposition," J. of Crystal Growth 476, 6 (2017).
H.W. Wu , S. Lu , T. Aoki , P. Ponath , J. G. Ekerdt , A. A. Demkov , M. R. McCartney and D. J. Smith, "Integration of ferroelectric BaTiO3 with Ge: the role of a SrTiO3 buffer layer investigated using aberration-corrected STEM," Appl. Phys. Lett. 110, 252901 (2017).
J. Park, T. Hadamek, A. B. Posadas, E. Cha, A. A. Demkov and H. Hwang, "Multi-layered NiOy/NbOx/NiOy fast drift-free threshold switch with high on/off ratio for selector application," Scientific Reports 7, 4068 (2017).
L. Gao, E. Yalon, A. R. Chew, S. Deshmukh, A. Salleo, E. Pop and A. A. Demkov, "Effect of oxygen vacancies and strain on the phonon spectrum of HfO2 thin films," J. Appl. Phys. 121, 224101 (2017).
P. Ponath, A. B. Posadas and A. A. Demkov, "Ge (001) surface cleaning methods for device integration," Appl. Phys. Rev. 4, 021308 (2017).
A. B. Posadas, K. J. Kormondy, W. Guo, P. Ponath, J. Geler0Kremer, T. Hadamek, and A. A. Demkov, "Scavenging of oxygen from SrTiO3 during oxide thin film deposition and the formation of interfacial 2DEGs," J. Appl. Phys. 121, 105302 (2017).
S. Hu, E. Lin, A. Hamze, A. B. Posadas, H. W. Wu, D. J. Smith, A. A. Demkov, and J. G. Ekerdt, "Zintl layer formation during perovskite atomic layer deposition on Ge (001)," J. Chem. Phys., 146, 052817 (2017).
K. J. Kormondy, Y. Popoff, M. Sousa, F. Eltes, D. Caimi, M. D. Rossell, M. Fiebig, P. Hoffmann, C. Marchiori, M. Reinke, M. Trassin, A. A. Demkov, J. Fompeyrine, and S. Abel, "Microstructure and ferroelectricity of BaTiO3 thin films on Si for integrated photonics," Nanotechnology 28, 075706 (2017).
A. R. Dhamdhere, T. Hadamek, A. B. Posadas, A. A. Demkov, and D. J. Smith, "Structural characterization of niobium oxide thin films grown on SrTiO3(111) and (La,Sr)(Al,Ta)O3(111)," J. Appl. Phys. 120, 245302 (2016).
K. D. Fredrickson and A. A. Demkov, "Surface-hydrogen-induced metallization and rumpling in thin BaTiO3," Phys. Rev. B 94, 245425 (2016).
P. Ponath, A. O'Hara, H.-X. Cao, A. B. Posadas, R. Vasudevan, M. B. Okatan, S. Jesse, M. Berg, Z. Li, D. Zhang, A. J. Kellock, A. de Lozanne, J. Zhou, S. Kalinin, D. J. Smith, A. A. Demkov, "The contradictory nature of Co doping in ferroelectric BaTiO3," Phys. Rev. B. 94, 205121 (2016).
S. Hu, M. D. McDaniel, A. B. Posadas, C. Hu, H.-W., Wu, E. T. Yu, D. J. Smith, A. A. Demkov and J. G. Ekerdt, "Monolithic integration of perovskites on Ge(001) by atomic layer deposition: a case study with SrHfxTi1-xO3," MRS Comm. 6, 125 (2016).
Smith, D.J., Wu, H., Lu, S., Aoki, T., Ponath, P., Fredrickson, K., McDaniel, M.D., Lin, E., Posadas, A.B., Demkov, A.A., Ekerdt, J. and McCartney, M.R. "Recent studies of oxide-semiconductor heterostructures using aberration-corrected scanning transmission electron microscopy," Journal of Materials Research, pp. 1-9 (2016).
K. D. Fredrickson, M. D. McDaniel, A. Slepko, J. G. Ekerdt, and A. A. Demkov, "Theoretical modeling and experimental observations of the atomic layer deposition of SrO using a cyclopentadienyl Sr precursor," J. Chem. Phys. 145, 064701 (2016).
K. D. Fredrickson, H. Seo and A. A. Demkov, "Mechanism of oxidation protection of the Si(001) surface by sub-monolayer Sr template," J. Appl. Phys. 120, 065301 (2016).
K. D. Fredrickson, C. Lin, S. Zollner, and A. A. Demkov, "Theoretical study of negative optical mode splitting in LaAlO3," Phys. Rev. B 93, 134301 (2016).
K. D. Fredrickson and A. A. Demkov, "Spin-polarized, orbital-selected hole gas at the EuO/Pt interface," J. Appl. Phys. 119, 095309 (2016).
H. Seo and A. A. Demkov, "Early stages of the Schottky barrier formation in submonolayer Pt on SrTiO3 (001)," Phys. Rev. B 92, 245301 (2015).
C. Lin and A. A. Demkov, "Quench dynamics of Anderson impurity model using configuration interaction method," Phys. Rev. B 92, 155135 (2015).
X. Luo and A. A. Demkov, "Structure, thermodynamics and crystallization of amorphous hafnia," J. Appl. Phys. 118, 124105 (2015).
C. Lin, D. Shin, and A. A. Demkov, "Localized states induced by an oxygen vacancy in rutile TiO2," J. Appl. Phys. 117, 225703 (2015).
A. A. Demkov, P. Ponath, K. Fredrickson, A. B. Posadas, M. D. McDaniel, T. Q. Ngo, and J. G. Ekerdt, "Integrated films of transition metal oxides for information technology," Microelectron. Eng. 147, 285 (2015).
A. Slepko and A. A. Demkov, "Hydroxyapatite: Vibrational spectra and monoclinic to hexagonal phase transition," J. Appl. Phys. 117, 074701 (2015).
C. Lin, A. Posadas, M. Choi, and A. A. Demkov, "Optical properties of transition metal oxide quantum wells," J. Appl. Phys. 117, 034304 (2015).
H. Seo and A. A. Demkov, "Band alignment in visible-light photo-active CoO/SrTiO3 (001) heterostructures," J. Appl. Phys. 116, 245305 (2014).
C. Lin and A. A. Demkov, "Efficient and stable orbital-searching algorithm for the configuration interaction method and its application to quantum impurity problems," Phys. Rev. B 90, 235122 (2014).
C. Lin and A. A. Demkov, "Consequences of oxygen vacancy correlations at the SrTiO3 interface," Phys. Rev. Lett. 113, 157602 (2014).
C. Mitra, C. Lin, A. B. Posadas, and A. A. Demkov, "Role of oxygen vacancies in room-temperature ferromagnetism in cobalt-substituted SrTiO3," Phys. Rev. B 90, 125130 (2014).
E. T. Yu, C. Hu, M. D. McDaniel, A. B. Posadas, A. A. Demkov, and J. G. Ekerdt, "Resistive Switching Characteristics and Controllable Quantized Conductance in Single-Crystal Anatase TiO2 on Si (001)," ECS Trans. 64, 147 (2014).
C. Q. Hu, M. D. McDaniel, A. B. Posadas, A. A. Demkov, J. G Ekerdt, and E. T. Yu, "Highly Controllable and Stable Quantized Conductance and Resistive Switching Mechanism in Single-Crystal TiO2 Resistive Memory on Silicon,'' Nano Lett. 14, 4360 (2014).
M. Choi, C. Dubourdieu, A. J. Kellock, K. L. Lee, R. A. Haight, A. Pyzyn, M. M. Frank, A. A. Demkov, and V. Narayanan, "Tunable electrical properties of TaNx thin fimls grown by ionized physical vapor deposition,'' J. Vac. Sci. Technol. B 32, 051202 (2014).
M. Choi, A. B. Posadas, C. A. Rodriguez, A. O'Hara, H. Seinige, A. J. Kellock, M. M. Frank, M. Tsoi, S. Zollner, V. Narayanan, and A. A. Demkov, "Structural, optical, and electrical properties of strained La-doped SrTiO3," J. Appl. Phys. 116, 043705 (2014).
R. Dargis, A. Clark, F. E. Arkun, T. Grinys, R. Tomasiunas, A. O'Hara, and A. A. Demkov, "Monolithic integration of rare-earth oxides and semiconductors for on-silicon technology," J. Vac. Sci. Technol. A 32, 041506 (2014).
K. J. Kormondy, A. B. Posadas, A. Slepko, A. Dhamdhere, D. J. Smith, K. N. Mitchell, T. I. Willett-Gies, S. Zollner, L. G. Marshall, J. Zhou, and A. A. Demkov, "Epitaxy of polar semiconductor Co3O4: growth, structure, and characterization," J. Appl. Phys. 115, 243708 (2014).
K. D. Fredrickson, P. Ponath, A. B. Posadas, M. R. McCartney, T. Aoki, D. J. Smith, and A. A. Demkov, "Atomic and electronic structure of the ferroelectric BaTiO3-Ge(001) interface," Appl. Phys. Lett. 104, 242908 (2014).
A. O'Hara and A. A. Demkov, "Oxygen and nitrogen diffusion in α-Hafnium from first principles," Appl. Phys. Lett. 104, 211909 (2014).
A. O'Hara, G. Bersuker, and A. A. Demkov, "Assessing hafnium on hafnia as an oxygen getter," J. Appl. Phys. 115, 183703 (2014).
M. D. McDaniel, T. Q. Ngo, A. Posadas, C. Hu, S. Lu, D. J. Smith, E. T. Yu, A. A. Demkov, and J. G. Ekerdt, "A Chemical Route to Monolithic Integration of Crystalline Oxides on Semiconductors," Advanced Materials Interfaces, 1400081 (2014).
T. Q. Ngo, M. D. McDaniel, A. Posadas, A. A. Demkov, and J. G. Ekerdt, "Growth of crystalline LaAlO3 by atomic layer deposition," Proc. SPIE 8987 (Oxide-based Materials and Devices V), 898712 (2014).
A. A. Demkov and A. B. Posadas, "Integration of Functional Oxides with Semiconductors (Springbriefs in Materials)," Springer, New York (2014).
A. Rüegg, C. Mitra, A. A. Demkov, and G. A. Fiete, "Lattice distortion effects on topological phases in (LaNiO3)2/(LaAlO3)N heterostructures grown along the  direction," Phys. Rev. B 88, 115146 (2013).
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).
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).
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).
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).
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).
A. Rüegg, C. Mitra, A.A. Demkov, and G.A. Fiete "Electronic structure of (LaNiO3)2/(LaAlO3)N heterostructures grown along ", Phys. Rev. B 85, 245131 (2012).
A. Slepko and A.A. Demkov, "First principles study of Zintl aluminide SrAl2", Phys. Rev. B 85, 195462 (2012).
A. Slepko and A.A. Demkov, “Band engineering in silicide alloys”, Phys. Rev. B 84, (2012).
A.A. Demkov, H. Seo, X. Zhang,, and J. Ramdani, “Using Zintl-Klemm intermetallics in oxide-semiconductor heteroepitaxy”, Appl. Phys. Lett. 100, 071602 (2012).
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).
A. Slepko, and A.A. Demkov, “First-Principles study of the biomineral hydroxyapatite”, Phys. Rev. B 84, 134108 (2011).
A.A. Demkov, A.B. Posadas, H. Seo and J.K. Lee, “Physics of oxides heterostructures’, ECS Trans. 41, 275 (2011).
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).
H. Seo and A. A. Demkov, "First-principles study of polar LaAlO3 (001) surface stabilization by point defects," Phys. Rev. B 84, 045440 (2011).
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).
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).
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).
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).
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).
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).
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).
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).
N. Sergueev and A.A. Demkov, “Resonant inelastic charge transfer in short alanine bridges”, Phys. Rev. B 81, 045112 (2010).
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).
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).
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).
H. Bentmann, J, Houser, and A.A. Demkov, "Ab initio study of early stages of III-V epitaxy on high-index surfaces of group-IV semiconductors: In adsorption on Si(112)," Phys. Rev. B 80, 085311 (2009).
A.A. Demkov, O. Sharia, X. Luo, G. Bersuker, and J. Robertson, “Modeling complexity of complex oxides’, Microel. Engineering 86, 1763 (2009).
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).
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).
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).
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).
J.K. Lee and A.A. Demkov, "Charge origin and localization at the n-type STO/LAO interface", Phys. Rev. B 78, 193104 (2008).
H. Bentmann, S. Zollner, R. Gregory and A.A. Demkov, "Surface properties of PtSi thin films", Phys. Rev. B 78, 205302 (2008).
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).
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).
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).
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).
J. Robertson, O. Sharia, and A.A. Demkov, "Fermi level pinning by defects in HfO2-metal gate stacks", Appl. Phys. Lett. 91, 132912 (2007).
A.A. Demkov, O. Sharia, and J.K. Lee, "Theoretical analysis of high-k dielectric gate stacks", Microelectronics Engineering 84, 2032 (2007).
N. Sergueev, A.A. Demkov, and H. Guo, "Probing molecular vibrations with inelastic resonant tunneling", Phys. Rev. B. 75, 233418 (2007).
M. Niranjan, L. Kleinman, and A.A. Demkov, "Theoretical investigation of PtGe and NiGe", Phys. Rev. B. 75, 085326 (2007).
A.A. Demkov and J. Lee, "Theoretical Investigation of the Band alignment at the LaAlO3/SrTiO3 interface," MRS Symposium Proceedings 966, 0966-T07-33 (2007).
M. Niranjan, L. Kleinman, and A.A. Demkov, "Theoretical investigation of Pt monosilicide and several germanides: electronic structure, surface energetics, and work functions", MRS Symposium Proceedings 980, 0980-II05-43 (2007).
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).
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).
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).
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).
A.A. Demkov, "Thermodynamic stability and band alignment at a metal high-k dielectric interface", Phys. Rev. B 74, 085310 (2006).
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).
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).
E. Chagarov, A.A. Demkov, and J. Adams, "Ab-initio calculations of surface phase diagrams of silica polymorphs," Phys. Rev. B 71, 195306 (2005).
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).
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).
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).
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).
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).
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).
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).
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).
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).
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).
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).
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).
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).
X. Hu et al., "The interface of epitaxial SrTiO3 on silicon: in-situ and ex-situ studies", Appl. Phys. Lett. 82, 203 (2003).
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).
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).
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).
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).
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).
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).
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).
X. Zhang and A.A. Demkov, "Steps on the (001) SrTiO3 surface", Journal of Vacuum Science and Technol. B 20, 1664 (2002).
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).
A.A. Demkov and O.F. Sankey, "Theory of zeolite supralattices: Se in zeolite LTA", Journal of Physics, Condensed Matter 13, 10433 (2001).
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).
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).
A.A. Demkov, "Investigating Alternative Gate Dielectrics: A Theoretical Approach", phys. stat. sol. (b) 226, 57 (2001).
A.A. Demkov and X. Zhang, "Theoretical investigation of gate dielectrics", Proceedings of the IEEE 27th International Symposium on Compound Semiconductors, 155 (2001).
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).
A.A. Demkov, X. Zhang, H. Loechelt, "Theoretical investigation of ultrathin gate dielectrics", VLSI Design 13, 135 (2001).
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.
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).
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).
A.A. Demkov, et al., "Theoretical and experimental analysis of the low dielectric constant of fluorinated silica", Mater. Res. Soc. Proceedings 579, 255 (2000).
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).
A.A. Demkov and R. Liu, "Theoretical and experimental investigation of ultrathin oxynitride", Mat. Res. Soc. Proceedings 592, 257 (2000).
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).
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).
M. Fuentes-Cabrera, et al.,"Theoretical study of graphitic analogs of simple semiconductors", Modeling and Sim. in Materials Science and Eng. 7, 929 (1999).
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).
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).
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).
O.F. Sankey, A.A. Demkov, and T. Lenosky, "Electronic Structure of Black Sodalite", Phys. Rev. B 57, 15129 (1998).
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).
A.A. Demkov and O.F. Sankey, "Theoretical investigation of supralattices: selenium clusters in zeolites", Microporous and Mesoporous Mater. 21, 347 (1998).
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).
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).
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).
A.A. Demkov, and O.F. Sankey, "Model simulations of Supralattices: semiconductor Si clusters in Zeolites'', Phys. Rev. B 56, 10497 (1997).
A.A. Demkov, and O.F. Sankey, "Recent developments in the theory of supralattices" (review), Chem. Mater. 8, 1793 (1996).
A.A. Demkov, and O.F. Sankey, "Clusters stuffed inside frameworks: electronic structure theory", J. Computer Aided Materials Design 3, 128 (1996).
A.A. Demkov, W. Windl and O.F. Sankey, "Expanded-Volume Phases of Silicon: Zeolites without Oxygen", Phys. Rev. B 53, 11288 (1996).
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).
A.A. Demkov, J. Ortega, M.P. Grumbach, and O.F. Sankey, "Electronic structure approach for complex silicas", Phys. Rev. B 52, 1618 (1995).
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).
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).
J. Ortega, A.A. Demkov, and O.F. Sankey, "Chemisorption of In and Al on GaAs (110)", J. Appl. Phys. 76, 2918 (1994).
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).
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).
A.A. Demkov, and O.F. Sankey, "Theoretical investigation of random Si-C alloys", Phys. Rev. B 48, 2207 (1993).

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