Cohesive energies of cubic III-V semiconductors.
نویسندگان
چکیده
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. 71.45.Nt, 31.25.Qm, 71.55.Eq Typeset using REVTEX
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ورودعنوان ژورنال:
- Physical review. B, Condensed matter
دوره 54 4 شماره
صفحات -
تاریخ انتشار 1996