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

• Authors: K. Bencherif , A. Yakoubi , H. Mebtouche
• Languages of publication: 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.

Keywords

EN

binary alloys; ab initio; lattice parameter; high pressure; band-structure; charge density

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2017
• Volume: 131
• Issue: 2
• Pages: 209-212

Dates

published

2017-02

received

2016-11-26

(unknown)

2017-01-17

Contributors

author

K. Bencherif

• 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

A. Yakoubi

• Laboratory of Study of Materials and Instrumentations Optic (LEMIO), Physics Department, University of Djilali Liabes, Sidi Bel Abbes, 22000, Algeria

author

H. Mebtouche

• Laboratory of Study of Materials and Instrumentations Optic (LEMIO), Physics Department, University of Djilali Liabes, Sidi Bel Abbes, 22000, Algeria

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Identifiers

DOI

10.12693/APhysPolA.131.209