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New theoretical method to study densities of states of tetrahedrally coordinated solids
Authors:F. Yndurain  J.D. Joannopoulos  Marvin L. Cohen  L.M. Falicov
Affiliation:Department of Physics, University of California, Berkeley, California 94720, U.S.A.
Abstract:
A new simple method is proposed to calculate local densities of states of arbitrary tetrahedrally coordinated solids. It involves the selection of a finite cluster of atoms connected to an infinite Bethe lattice of coordination four. The method is accurate, is easily handled numerically, and converges fast. Low-order approximations yield sufficient information which is susceptible to consistent physical interpretation. This has been made for the diamond, BC-8 and ST-12 structures in terms of the ring topology around a given atom. Comparison with exact calculations is very good and the ring interpretation is physical and conceptually appealing.
Keywords:
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