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2017 | 131 | 2 | 209-212
Article title

Structural and Electronic Properties of the BN, BP and BAs in the Different Phases of Zinc-Blende, NaCl and CsCl

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EN
Abstracts
EN
In this work we used the first ab initio calculations to study the stability of the binary alloys BN, BP and BAs and their behavior in the different phases of zinc-blende, Nacl and CsCl. The full potential linearized augmented plane wave method was employed within density functional theory. Our results show the difference in the calculated structural properties and the band structure is obtained for the zinc-blende structure. We have investigated the lattice parameters and band gap energies. We also give the valence charge density at a high pressure and the analysis of the density of states.
Publisher

Year
Volume
131
Issue
2
Pages
209-212
Physical description
Dates
published
2017-02
received
2016-11-26
(unknown)
2017-01-17
Contributors
author
  • Laboratory of Study of Materials and Instrumentations Optic (LEMIO), Physics Department, University of Djilali Liabes, Sidi Bel Abbes, 22000, Algeria
  • Center University Belhadj Bouchaib of Ain Témouchent, 46000, Algeria
author
  • Laboratory of Study of Materials and Instrumentations Optic (LEMIO), Physics Department, University of Djilali Liabes, Sidi Bel Abbes, 22000, Algeria
author
  • Laboratory of Study of Materials and Instrumentations Optic (LEMIO), Physics Department, University of Djilali Liabes, Sidi Bel Abbes, 22000, Algeria
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv131n201kz
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