Cohesive energies of cubic III-V semiconductors

Details Cohesive energies of cubic III-V semiconductors Cohesive energies of cubic III-V semiconductors

1996-05-10

arxiv.org/abs/cond-mat/9605064v1

Physics

Condensed Matter

16 pages, 1 figure, latex

Scientific paper

10.1103/PhysRevB.54.2556

Cohesive energies for twelve cubic III-V semiconductors with zincblende 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 (CCSD). 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.

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