Full potential linearized augmented plane wave calculations of structural and electronic properties of GeC, SnC and GeSn

Abstract : A theoretical study of structural and electronic properties of GeC, SnC and GeSn is presented using the full potential linearized augmented plane wave method. In this approach, the generalized gradient approximation was used for the exchange-correlation potential. Results are given for lattice constant, bulk modulus and its pressure derivative in both zinc-blende and rocksalt structures. Band structure, density of states and band gap pressure coefficients in zinc-blende structure are also given. The results are compared with previous calculations and with experimental measurements. © 2003 Elsevier B.V. All rights reserved.
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Physica B: Condensed Matter, 2003, 336 (3-4), pp.321-328. 〈10.1016/S0921-4526(03)00298-9〉
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https://hal.archives-ouvertes.fr/hal-01610603
Contributeur : Sylvie Blanc <>
Soumis le : mercredi 4 octobre 2017 - 19:07:27
Dernière modification le : jeudi 11 janvier 2018 - 06:28:13

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R. Khenata, H. Baltache, M. Sahnoun, M. Driz, Michel Rérat, et al.. Full potential linearized augmented plane wave calculations of structural and electronic properties of GeC, SnC and GeSn. Physica B: Condensed Matter, 2003, 336 (3-4), pp.321-328. 〈10.1016/S0921-4526(03)00298-9〉. 〈hal-01610603〉

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