Publications

1996
Kaxiras E. Ab-initio studies of diffusion and growthphenomena on semiconductor surfaces. Surface Review and Letters. 1996;3 :1295.
Zumbach G, Modine NA, Kaxiras E. Adaptive coordinate, real-space electronic-structure calculations on parallel computers. Solid State Comm. 1996;99 :57.
Kaxiras E. Atomistic aspects of diffusion and growth on the Si and Ge (111) surfaces. Thin Solid Films. 1996;272 :386.
Antonelli A, Ismail-Beigi S, Kaxiras E, Pandey KC. Free energy of the concerted-exchange mechanism for self-diffusion in silicon. Phys. Rev. B. 1996;53 :1310.
Juan Y, Sun Y, Kaxiras E. Ledge effects on dislocation emission from a crack tip: a first-principles study for silicon. Phil. Mag. Lett. 1996;73 :233.
Kandel D, Kaxiras E. Microscopic theory of electromigration on semiconductor surfaces. Phys. Rev. Lett. 1996;76 :1114.
Kaxiras E. Review of atomistic simulations of surface diffusion and growth on semiconductors. Computational Materials Science. 1996;6 :158.
Modine NA, Kaxiras E. Variational Hilbert space truncation approach to quantum Heisenberg antiferromagnets onfrustrated clusters. Phys. Rev. B. 1996;53 :2546.
Barabasi AL, Kaxiras E. Dynamic scaling in conserved systems with coupled fields:Application to surfactant mediated growth. Europhys. Lett. 1996;36 :129.
Juan Y, Kaxiras E. Generalized stacking fault energy surfaces and idislocation properties of silicon: a first-principlestheoretical study. Phil. Mag. A. 1996;74 :1367.
Bazant MZ, Kaxiras E. Modeling of covalent bonding in solids by inversion of cohesive energy curves. Phys. Rev. Lett. 1996;77 :4370.
Kaxiras E, Smith JR. Simulations of structural materials. J. of Computer Aided Materials Design. 1996;3 :30.
Kaxiras E, Kandel D. Theory of surfactant-mediated growth on semiconductor surfaces. Applied Surface Science. 1996;102 :3.
1995
Y. Wang, Hamers RJ, Kaxiras E. Atomic structure and bonding of boron-induced reconstructions on Si(001). Phys. Rev. Lett. 1995;74 :403.
Kaxiras E. Atomic structure of surfactant monolayers and its role in epitaxial growth. Mat. Sci. and Engin. B. 1995;30 :175.
Kaxiras E, Broughton J. Electronic states and charge transfer mechanisms in solid molecular hydrogen. Computational Materials Science. 1995;3 :368.
Zangwill A, Kaxiras E. Submonolayer island growth with adatom exchange. Surface Science Lett. 1995;326.
Zeger L, Juan Y, Kaxiras E, Antonelli A. Theoretical study of cubic structures based on fullerene carbon clusters: C28-Cand (C28)2. Phys. Rev. B. 1995;52 :2125.
Juan Y, Kaxiras E, Gordon R. Use of the Generalized Gradient Approximation in pseudopotential calculations of solids. Phys. Rev. B. 1995;51 :9521.
Lim H, Cho K, Park I, Joannopoulos JD, Kaxiras E. Ab initio study of hydrogen adsorption on the Si(111)-(7 x 7) surface. Phys. Rev. B. 1995;52 :17231.

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