Numbers refer to the paper index in the list of Publications.
    1. "Atomistic Simulation of Field Enhanced Oxidation of Al(1000) Beyond the Mott Potential"
      S.K.R.S. Sankaranarayanan, E. Kaxiras, S. Ramanathan, Phys. Rev. Lett. 102, 095504 (2009).
    1. "Effects of chlorine and oxygen coverage on the structure of the Au(111) surface"
      T.A. Baker, C.M. Friend and E. Kaxiras, J. Chem. Phys. 130, 084701 (2009).
    1. "Atomic Oxygen Adsorption on Au(111) Surfaces with Defects"
      T.A. Baker, C.M. Friend and E. Kaxiras, J. Phys. Chem. C 113, 3232-3238 (2009).
    1. "Electronic nature of step-edge barriers against adatom descent on transition-metal surfaces"
      Y.N. Mo, W.G. Zhu, E. Kaxiras and Z.Y. Zhang, Phys. Rev. Lett. 101, 216101 (2008).
    1. "Chlorine interaction with defects on the Au(111) surface: A first-principles theoretical investigation"
      T.A. Baker, C.M. Friend, and E. Kaxiras, J. Chem. Phys. 129, 104702 (2008).
    1. "Selective thermal reduction of single-layer MoO3 nanostructures on Au(111)"
      X. Deng, S.Y. Quek, M.M. Biener, J. Biener, D.H. Kang, R. Schalek, E. Kaxiras, and C.M. Friend, Surf. Sci. 602, 1166-1174 (2008).
    1. "Nature of Cl bonding on the Au(111) surface: evidence of a mainly covalent interaction"
      T.A. Baker, C.M. Friend, and E. Kaxiras, J. Amer. Chem. Soc. 130, 3720-3721 (2008).
      ADDITION
      T.A. Baker, C.M. Friend, and E. Kaxiras, J. Amer. Chem. Soc. 131, 4551 (2009).
    1. "Chlorine adsorption on Au(111): Chlorine overlayer or surface chloride?"
      W.W. Gao, T.A. Baker, L. Zhou, D.S. Pinnaduwage, E. Kaxiras, and C.M. Friend, J. Amer. Chem. Soc. 130, 3560-3565 (2008).
    1. "Water wettability of close-packed metal surfaces"
      S. Meng, E. Kaxiras and Z. Zhang, J. Chem. Phys. 127, 244710 (2007).
    1. "Structure of incommensurate gold sulfide monolayer on Au(111) "
      S.Y. Quek, M.M. Biener, J. Biener, J. Bhattacharjee, C.M. Friend, U.V. Waghmare and E. Kaxiras, J. Chem. Phys. 127, 104704 (2007).
    1. "Diamond stabilization of ice multilayers at human body temperature"
      A. Wissner-Gross and E. Kaxiras, Phys. Rev. E 76, 020501 (2007).
    1. "Negative differential resistance in transport through organic molecules on silicon"
      S.Y. Quek, J.B. Neaton, M.S. Hybertsen, E. Kaxiras and S.G. Louie, Phys. Rev. Lett. 98, 066807 (2007).
    1. "Active role of buried ultrathin oxide layers in adsorption of O_2 on Au films"
      S.Y. Quek, C.M. Friend and E. Kaxiras, Surf. Sci. 600, 3388-3393 (2006).
    1. "Rich coordination chemistry of Au adatoms in gold sulfide monolayer on Au(111)"
      S.Y. Quek, M.M. Biener, J. Biener, J. Bhattacharjee, C.M. Friend, U.V. Waghmare and E. Kaxiras, J. Phys. Chem. B Letters 110, 15663-15665 (2006).
    1. "First-principles studies of the electronic structure of cyclopentene on Si(001): density functional theory and GW calculations"
      S.Y. Quek, J.B. Neaton, M.S. Hybertsen, E. Kaxiras, S.G. Louie, Phys. Stat. Sol. B 243, 2048-2053 (2006).
    1. "Tuning solid surfaces from hydrophobic to superhydrophilic by submonolayer surface modification"
      S. Meng, Z. Zhang and E. Kaxiras, Phys. Rev. Lett. 97, 036107 (2006).
    1. "Formation of monatomic Fe chains on vicinal Cu(111) surfaces: An atomistic view"
      J.D. Guo, Y. Mo, E.Kaxiras, Z. Zhang, H.H. Weitering, Phys. Rev. B 73, 193405 (2006).
    1. "Kinetic pathway for the formation of Fe nanowires on stepped Cu(111) surfaces"
      Y. Mo, K. Varga, E. Kaxiras and Z. Zhang, Phys. Rev. Lett. 94 (15) 155503 (2005).
    1. "Tuning electronic properties of novel metal oxide nanocrystals using interface interactions: MoO3 monolayers on Au(111)"
      S.Y. Quek, M.M. Biener, J. Biener, C.M. Friend and E. Kaxiras, Surface Sci. Lett. 577, L71-L77 (2005).
    1. "Contrasting Growth Modes of Mn on Ge(100) and Ge(111) Surfaces: Subsurface Segregation versus Intermixing"
      W.G. Zhu, H.H. Weitering, E.G. Wang, E. Kaxiras, and Z. Zhang, Phys. Rev. Lett. 93, 126102 (2004).
    1. "Modeling of the carbon-rich c(4x4) reconstruction on Si(100)"
      I.N. Remediakis, C. Guedj, P.C. Kelires, D. Grutzmacher, and E. Kaxiras, Surface Science 554 (2-3): 90-102 (2004).
    1. "Dinitrosyl formation as an intermediate stage of the reduction of NO in the presence of MoO3"
      I.N. Remediakis, E. Kaxiras, M. Chen and C.M. Friend, J. Chem. Phys. 118 , 6046-6051 (2003).
    1. "The chemical nature of surface point defects on MoO3(010): Adsorption of hydrogen and methyl"
      M. Chen, C.M. Friend and E. Kaxiras, J. Am. Chem. Soc. 123, 2224 (2001).
    1. "Thermodynamics of C incorporation in Si(100)"
      I.N. Remediakis, E. Kaxiras and P. Kelires, Phys. Rev. Lett. 86, 4556 (2001).
    1. "Structure of III-Sb(001) growth surfaces: the role of heterodimers"
      W. Barvosa-Carter, A.S. Bracker, J.C. Culbetrson, B.Z. Nosko, B.V. Shanabrook, L.J. Whitman, H. Kim, N.A. Modine and E. Kaxiras, Phys. Rev. Lett. 84, 4649 (2000).
    1. "A density functional theory study of site-specific methyl reaction on MoO>3(010): The effects of methyl coverage"
      M. Chen, C.M. Friend and E. Kaxiras, J. Chem. Phys. 112, 9617 (2000).
    1. "Atomistic simulations of solid-phase epitaxial growth in silicon"
      N. Bernstein, M. J. Aziz and E. Kaxiras, Phys. Rev. B 61, 6696 (2000).
    1. "Theory of the (3 x 2) reconstruction of the GaAs(001) surface"
      N.A. Modine and E. Kaxiras, Mat. Sci. and Engin. B 67, 1 (1999).
    1. "Resolving discrepancies between LEED and STM through ab initio calculations: Surface structure and bonding of sulfur on Mo(110)"
      M. Chen, P.G. Clark, Jr., T. Mueller, C.M. Friend and E. Kaxiras, Phys. Rev. B 60, 11783 (1999).
    1. "Self-organized growth of Ge quantum dots on Si(001) substrates induced by sub- monolayer C coverages"
      O. Leifeld, R. Hartman, B. M"uller, E. Kaxiras, K. Kern and D. Grützmacher, Nanotechnology 10, 122 (1999).
    1. "Dimer pairing on the C-alloyed Si(001) surface"
      O. Leifeld, D. Grützmacher, B. Muller, K. Kern, E. Kaxiras and P. Kelires, Phys. Rev. Lett. 82, 972 (1999).
    1. "First-principles study of static nano-scale friction between MoO_3 and MoS_2"
      G.S. Smith, N.A. Modine, U.V. Waghmare and E. Kaxiras, J. of Computer Aided Materials Design 5, 61 (1998).
    1. "A density functional study of clean and hydrogen-covered MoO_3(010): electronic structure and lattice relaxation"
      M. Chen, U.V. Waghmare, C.M. Friend and E. Kaxiras, J. Chem. Phys. 109, 6854 (1998).
    1. "Substitutional carbon impurities in thin silicon films: equilibrium structure and properties"
      P.C. Kelires and E. Kaxiras, J. Vac. Sci. Technol. B 16, 1687 (1998).
    1. "Amorphous-crystal interface in silicon: a tight-binding simulation"
      N. Bernstein, M.J. Aziz, E. Kaxiras, Phys. Rev. B 58, 4579 (1998).
    1. "Diffusion of adsorbate atoms on the reconstructed Si(111) surface"
      K. Cho and E. Kaxiras, Surf. Sci. Lett. 396, L261 (1998).
    1. "Theory of adsorption and desorption of H_2 molecules on the Si(111)-(7 x 7) surface"
      K. Cho, E. Kaxiras and J.D. Joannopoulos, Phys. Rev. Lett. 79, 5078 (1997).
    1. "Intermittent diffusion on the Si(111)(7 x 7) surface"
      K. Cho and E. Kaxiras, Europhys. Lett. 39, 287 (1997).
    1. "Energetics and equilibrium properties of thin pseudomorphic Si_(1-x)C_x(100) layers in Si"
      P. C. Kelires and E. Kaxiras, Phys. Rev. Lett. 78, 3479 (1997).
    1. "Dynamic scaling in conserved systems with coupled fields: Application to surfactant mediated growth"
      A. L. Barabasi and E. Kaxiras, Europhys. Lett. 36, 129 (1996).
    1. "Theory of surfactant-mediated growth on semiconductor surfaces"
      E. Kaxiras and D. Kandel, Applied Surface Science 102, 3 (1996).
    1. "Ab-initio studies of diffusion and growth phenomena on semiconductor surfaces"
      E. Kaxiras, Surface Review and Letters 3, 1295 (1996).
    1. "Atomistic aspects of diffusion and growth on the Si and Ge (111) surfaces"
      E. Kaxiras, Thin Solid Films 272, 386 (1996).
    1. "Microscopic theory of electromigration on semiconductor surfaces"
      D. Kandel and E. Kaxiras, Phys. Rev. Lett. 76, 1114 (1996).
    1. "Ab initio study of hydrogen adsorption on the Si(111)-(7 x 7) surface"
      H. Lim, K. Cho, I. Park, J.D. Joannopoulos and E. Kaxiras, Phys. Rev. B 52, 17231 (1995).
    1. "Surfactant mediated crystal growth of semiconductors"
      D. Kandel and E. Kaxiras, Phys. Rev. Lett. 75, 2742 (1995).
    1. "Submonolayer island growth with adatom exchange"
      A. Zangwill and E. Kaxiras, Surface Science Lett. 326, L483 (1995).
    1. "Atomic structure of surfactant monolayers and its role in epitaxial growth"
      E. Kaxiras, Mat. Sci. and Engin. B 30, 175 (1995).
    1. "Atomic structure and bonding of boron-induced reconstructions on Si(001)"
      Y. Wang, R.J. Hamers and E. Kaxiras, Phys. Rev. Lett. 74, 403 (1995).
    1. "Adatom diffusion by orchestrated exchange on semiconductor surfaces"
      E. Kaxiras and J. Erlebacher, Phys. Rev. Lett. 72, 1714 (1994).
    1. "Symmetry and stability of solitary dimer rows on Si(100)"
      P. Bedrossian and E. Kaxiras, Phys. Rev. Lett. 70, 2589 (1993).
    1. "Interplay of strain and chemical bonding in surfactant monolayers"
      E. Kaxiras, Europhys. Lett. 21, 685 (1993).
    1. "Theoretical modeling of heteroepitaxial growth initiation"
      E. Kaxiras, O.L. Alerhand, J. Wang, and J.D. Joannopoulos, Mat. Sci. and Engin. B 14, 245 (1992).
    1. "Adsorption of As on stepped Si(100): resolution of the sublattice-orientation dilemma"
      O.L. Alerhand, J. Wang, J.D. Joannopoulos, E. Kaxiras, and R.S. Becker, Phys. Rev. B 44, 6534 (1991).
    1. "Growth of GaAs overlayers on vicinal Si(100) surfaces"
      O.L. Alerhand, J. Wang, J.D. Joannopoulos, and E. Kaxiras, J. Vac. Sci. Technol. A9, 2423 (1991).
    1. "Semiconductor surface restoration by valence mending adsorbates: application to Si(111):S and Se"
      E. Kaxiras, Phys. Rev. B 43, 6824 (1991).
    1. "Thermodynamic and kinetic aspects of GaAs growth on Si(100)"
      E. Kaxiras, O.L. Alerhand, J.D. Joannopoulos, and G.W. Turner, Superlattices and Microstructures 8, 229 (1990).
    1. "Evidence for trimer reconstruction of Si(111) √3x√3-Sb: scanning tunneling microscopy and first-principles theory"
      P. Martensson, G. Meyer, N.M. Amer, E. Kaxiras, and K.C. Pandey, Phys. Rev. B 42, 7230 (1990).
    1. "Adsorption of boron on Si(111): physics, chemistry, and atomic-scale electronic devices"
      Ph. Avouris, I.-W. Lyo, F. Boszo, and E. Kaxiras, J. Vac. Sci. Technol. A8, 3405 (1990).
    1. "Electronic states due to surface doping: Si(111)√3x√3-B"
      E. Kaxiras, K.C. Pandey, F.J. Himpsel, and R.M. Tromp, Phys. Rev. B 41, 1262 (1990).
    1. "Scanning-tunneling microscopy and first-principles theory of the Sn/GaAs (110) surface"
      C.K. Shih, E. Kaxiras, R.M. Feenstra, and K.C. Pandey, Phys. Rev. B 40, 10044 (1989).
    1. "On the possibility of two-dimensional growth of GaAs on atomically flat Si(100) surfaces"
      E. Kaxiras and J.D. Joannopoulos, Surf. Sci. 224, 515 (1989).
    1. "Adsorption of B on Si(111): Its effect on surface electronic states and reconstruction"
      I.-W. Lyo, E. Kaxiras, and Ph. Avouris, Phys. Rev. Lett. 63, 1261 (1989).
    1. "Surfactants in epitaxial growth"
      M. Copel, M.C. Reuter, E. Kaxiras, and R.M. Tromp, Phys. Rev. Lett. 63, 632 (1989).
    1. "Model of epitaxial growth of GaAs on Si(100) - nucleation at surface steps"
      O.L. Alerhand, E. Kaxiras, J.D. Joannopoulos, and G.W. Turner, J. Vac. Sci. Technol. B7, 695 (1989).
    1. "Microscopic model of heteroepitaxy of GaAs on Si(100)"
      E. Kaxiras, O.L. Alerhand, J.D. Joannopoulos, and G.W. Turner, Phys. Rev. Lett. 62, 2484 (1989).
    1. "Hydrogenation of semiconductor surfaces: Si and Ge(111)"
      E. Kaxiras and J.D. Joannopoulos, Phys. Rev. B 37, 8842 (1988).
    1. "Ab-initio theory of polar semiconductor surfaces: II. (2 x 2) reconstructions and related transitions on GaAs(111)"
      E. Kaxiras, Y. Bar-Yam, J.D. Joannopoulos, and K.C. Pandey, Phys. Rev. B 35, 9636 (1987).
    1. "Ab-initio theory of polar semiconductor surfaces: I. Methodology and the (2 x 2) reconstructions of GaAs(111)"
      E. Kaxiras, Y. Bar-Yam, J.D. Joannopoulos, and K.C. Pandey, Phys. Rev. B 35, 9625 (1987).
    1. "Variable stoichiometry surface reconstruction: new models for GaAs(111)2 x 2 and √19 x √19"
      E. Kaxiras, Y. Bar-Yam, J.D. Joannopoulos, and K.C. Pandey, Phys. Rev. Lett. 57, 106 (1986).
    1. "Role of chemical potentials in surface reconstruction: A new model and phase transition on GaAs(111) 2 x 2"
      E. Kaxiras, K.C. Pandey, Y. Bar-Yam, and J.D. Joannopoulos, Phys. Rev. Lett. 56, 2819 (1986).
    1. "(2 x 2) reconstructions of the {111} polar surfaces of GaAs"
      E. Kaxiras, Y. Bar-Yam, J.D. Joannopoulos, and K.C. Pandey, Phys. Rev. B 33, 4406 (1986).


    Disclaimer: The article files provided here are intended for the convenience of the reader and for personal use only. Personal use of this material means that it is not permitted to upload it to any public server, on-line service, network, or bulletin board; make copies for any commercial purpose; retransmit or redistribute it without written permissions from the paper's publisher and author. Reproduction or storage of material retrieved from this site is subject to the U.S. Copyright Act of 1976, Title 17 U.S.C.