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Electronic structure of (BP)n/(BAs)n (0 0 1) superlattices |
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| Authors: | M MerabetD Rached R Khenata S BenaliaB Abidri N BettaharS Bin Omran |
| Institution: | a Laboratoire des matériaux magnétiques, Faculté des Sciences, Université Djillali Liabes, 22000 Sidi Bel-Abbès, Algérie b Laboratoire de Physique Quantique et de Modélisation Mathématique de la Matière (LPQ3M), Université de Mascara, Mascara 29000, Algérie c Department of Physics and Astronomy, Faculty of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia |
| Abstract: | An accurate ab initio full potential linear muffin-tin orbital method has been used to investigate the structural, electronic and optical properties of BP, BAs and their (BP)n/(BAs)n superlattices (SLs). The exchange-correlation potential is treated with the local density approximation of Perdew and Wang (LDA-PW). The calculated structural properties of BP and BAs compounds are in good agreement with available experimental and theoretical data. It is found that BP, BAs and their alloys exhibit an indirect fundamental band gap. The fundamental band gap decreases with increasing the number of monolayer n. The optical properties show that the static dielectric constant significantly decreases in superlattices compared to their binary compounds. |
| Keywords: | FP-LMTO Superlattices Ground state properties Electronic properties Optical properties |
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