Cohesive energies of cubic III-V semiconductors
- 15 July 1996
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 54 (4) , 2556-2560
- https://doi.org/10.1103/physrevb.54.2556
Abstract
Cohesive energies for twelve cubic III-V semiconductors with zinc-blende structure have been determined using an ab initio scheme. Correlation contributions, in particular, have been evaluated using the coupled-cluster approach with single and double excitations. This was done by means of increments obtained for localized bond orbitals and for pairs and triples of such bonds. Combining these results with corresponding Hartree-Fock data, we recover about 92% of the experimental cohesive energies. © 1996 The American Physical Society.Keywords
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