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Publications

1989
Kaxiras E, Pandey KC. Isolated As antisite in GaAs: possibility of the EL2 defect. Phys. Rev. B. 1989;40 :8020.
Kaxiras E, J.D.Joannopoulos OLA, Turner GW. Microscopic model of heteroepitaxy of GaAs on Si(100). Phys. Rev. Lett. 1989;62 :2484.
Kaxiras OLAE, Joannopoulos JD, Turner GW. Model of epitaxial growth of GaAs on Si(100) - nucleation at surface steps. J. Vac. Sci. Technol. 1989;B7 :695.
Kaxiras E, Joannopoulos JD. On the possibility of two-dimensional growth of GaAs on atomically flat Si(100) surfaces. Surf. Sci. 1989;224 :515.
Shih CK, Kaxiras E, Feenstra RM, Pandey KC. Scanning-tunneling microscopy and first-principles theory of the Sn/GaAs (110) surface. Phys. Rev. B. 1989;40 :10044.
Copel M, Reuter MC, Kaxiras E, Tromp RM. Surfactants in epitaxial growth. Phys. Rev. Lett. 1989;63 :632.
Kaxiras E. Structural model for a covalently bonded Si45 cluster. Chem. Phys. Lett. 1989;163 :323.
1988
Kaxiras E, Manousakis E. Ground state of the strong-coupling Hubbard Hamiltonian: A numerical diagonalization study. Phys. Rev. B. 1988;37 :656.
Kaxiras E, Joannopoulos JD. Hydrogenation of semiconductor surfaces: Si and Ge(111). Phys. Rev. B. 1988;37 :8842.
Kaxiras E, Pandey KC. Energetics of defects and diffusion mechanisms in graphite. Phys. Rev. Lett. 1988;61 :2693.
Kaxiras E, Manousakis E. Hole dynamics in the two-dimensional strong-coupling Hubbard Hamiltonian. Phys. Rev. B. 1988;38 :866.
Kaxiras E, Pandey KC. New classical potential for accurate simulation of atomic processes in Si. Phys. Rev. B. 1988;38 :12736.
1987
Kaxiras E, Bar-Yam Y, Joannopoulos JD, Pandey KC. Ab-initio theory of polar semiconductor surfaces: I. Methodology and the (2 x 2)reconstructions of GaAs(111). Phys. Rev. B. 1987;35 :9625.
Kaxiras E, Bar-Yam Y, Joannopoulos JD, Pandey KC. Ab-initio theory of polar semiconductor surfaces: II.(2 x 2) reconstructions and related transitions on GaAs(111). Phys. Rev. B. 1987;35 :9636.
1986
Kaxiras E, Bar-Yam Y, Joannopoulos JD, Pandey KC. (2 x 2) reconstructions of the 111 polar surfaces of GaAs. Phys. Rev. B. 1986;33 :4406.
Kaxiras E, Pandey KC, Bar-Yam Y, Joannopoulos JD. Role of chemical potentials in surface reconstruction: A new model and phase transition on GaAs(111) 2 x 2. Phys. Rev. Lett. 1986;56 :2819.
Kaxiras E, Bar-Yam Y, Joannopoulos JD, Pandey KC. Variable stoichiometry surface reconstructions: New models for GaAs (111)(2×2) and (√19×√19). Physical Review Letters. 1986;57 :106–109.Abstract

The $(\bar1\bar1\bar1)$ surface of GaAs exhibits three stable reconstructions. Two are $(2\times 2)$, As stabilized and Ga stabilized respectively, and the third is $(\sqrt19\times\sqrt19)$. Transitions between these structures are obtained by variation of the experimental conditions. We propose new models for all of the above reconstructions, based on ab initio total-energy calculations and experimental information regarding surface composition.

1985
Kaxiras E, Moniz EJ, Soyeur M. Hyperon radiative decay. Phys. Rev. D. 1985;32 :695.

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