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Number of results
2010 | 117 | 6 | 921-927

Article title

First-Principles Study of Cubic B_{x}In_{1-x}N Ternary Alloys

Content

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Languages of publication

EN

Abstracts

EN
We present first principles calculations of the structural and electronic properties of zinc blende BN, InN and their ternary alloy B_{x}In_{1-x}N for concentrations x = 0.25, 0.5, 0.75. The computational method used is based on the full potential linearized augmented plane wave. The exchange and correlation energy is described in the local density approximation and generalized gradient approximation. We have studied the structural and electronic properties. First, the lattice constants a_0, bulk modulus B, pressure derivative B' for zinc blende BN, InN, and B_xIn_{1-x}N solid solutions were carried out. Thereafter, the band gap energies and the densities of states of binary compounds and the ternary alloy B_xIn_{1-x}N were investigated. Results obtained and compared with available experimental and theoretical values show a reasonable agreement.

Keywords

EN

Year

Volume

117

Issue

6

Pages

921-927

Physical description

Dates

published
2010-06
received
2009-10-28
(unknown)
2009-11-24
(unknown)
2010-01-10

Contributors

author
  • Applied Materials Laboratory, University Research of Sidi-Bel-Abbes, Sidi-Bel-Abbes 22000, Algeria
author
  • Applied Materials Laboratory, University Research of Sidi-Bel-Abbes, Sidi-Bel-Abbes 22000, Algeria
author
  • Computational Materials Science Laboratory, University Research of Sidi-Bel-Abbes, Sidi-Bel-Abbes 22000, Algeria
author
  • Engineering Physics Laboratory, University Research of Tiaret, Tiaret 14000, Algeria

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Document Type

Publication order reference

Identifiers

YADDA identifier

bwmeta1.element.bwnjournal-article-appv117n607kz
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