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Publications by Year: 1997

1997
Modine NA, Zumbach G, Kaxiras E. Adaptive coordinate real-space electronic structure calculations for atoms, molecules and solids. Phys. Rev. B. 1997;55 :10289.
Kelires PC, Kaxiras E. Energetics and equilibrium properties of thin pseudomorphic Si_(1-x)C_x(100)layers in Si. Phys. Rev. Lett. 1997;78 :3479.
Cho K, Kaxiras E. Intermittent diffusion on the Si(111)(7 x 7) surface. Europhys. Lett. 1997;39 :287.
Bulatov VV, Kaxiras E. Semi-discrete variational Peierls framework for dislocation core properties. Phys. Rev. Lett. 1997;78 :4221.
Sun Y, Kaxiras E. Slip energy barriers in aluminium and implications for ductile versus brittle behaviour. Phil. Mag. A. 1997;75 :1117.
Bazant MZ, Kaxiras E, Justo JF. Environment dependent interatomic potential for bulk silicon. Phys. Rev. B. 1997;56 :8542.
Bernstein N, Kaxiras E. Non-orthogonal tight-binding Hamiltonians for defects and interfaces in silicon. Phys. Rev. B. 1997;56 :10488.
Kaxiras E. Surface reconstruction induced geometries of Si clusters. Phys. Rev. B. 1997;56 :13455.
Cho K, Kaxiras E, Joannopoulos JD. Theory of adsorption and desorption of H_2 molecules on the Si(111)-(7 x 7) surface. Phys. Rev. Lett. 1997;79 :5078.