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cond-mat2003★ 39 cited
Simulation of the physical properties of the chalcogenide glass AsS using a density-functional-based tight-binding method
S. I. Simdyankin, S. R. Elliott, Z. Hajnal +2
We have used a density-functional-based tight-binding method in order to create structural models of the canonical chalcogenide glass, amorphous (a-)AsS. The models range f…
cond-mat2001★ 27 cited
Spatial decay of the single-particle density matrix in insulators: analytic results in two and three dimensions
S. N. Taraskin, D. A. Drabold, S. R. Elliott
Analytic results for the asymptotic decay of the electron density matrix in insulators have been obtained in all three dimensions () for a tight-binding model defined on a…
cond-mat2000★ 25 cited
Vibrational properties of the one-component phase
S. I. Simdyankin, S. N. Taraskin, M. Dzugutov +1
A structural model of a one-component -phase crystal has been constructed by means of molecular dynamics simulation. The phonon dispersion curves and the vibrational density of…