Electronic and optical calculations of the boron compounds BP, BAs and BSb
S. Ghemid1, H. Meradji1*, S. Drablia1, R. Boulechfar1, B. Abbar2, B. Bouhafs2
1Laboratoire LPR, Faculté des Sciences, Département de Physique , Université de Annaba, Algérie
2 Laboratoire CMSL, Faculté des Sciences, Département de Physique, Université de Sidi Bel-Abbès, Algérie
* Corresponding author. E-mail:firstname.lastname@example.org
Received: 14 February 2006; revised version accepted:23 October 2006
We present first-principles calculations of the electronic and optical properties of the series of boron compounds BAs, BP and BSb. We have applied the augmented plane- wave plus local-orbitals method (L/APW +l0) with the generalized gradient approximation (GGA). Both imaginary and real parts of dielectric function, the refractive index and the absorption coefficient are performed in the photon energy range up to 30 eV. No experimental data are available concerning the optical properties of these semiconducting compounds. We compared our results with those found by FP-LAPW approach using LDA approximation.
Keywords: First principles calculations; L/APW + lo; GGA.