Electronic structure of (BP)n/(BAs)n (0 0 1) superlattices

被引：25

作者：

Merabet, M. ^{[1
]}

Rached, D. ^{[1
,4
]}

Khenata, R. ^{[2
,3
]}

Benalia, S. ^{[1
]}

Abidri, B. ^{[1
]}

Bettahar, N. ^{[1
]}

Bin Omran, S. ^{[3
]}

机构：

[1] Univ Djillali Liabes Sidi Bel Abbes, Fac Sci, Lab Mat Magnet, Sidi Bel Abbes 22000, Algeria

[2] Univ Mascara, LPQ3M, Mascara 29000, Algeria

[3] King Saud Univ, Fac Sci, Dept Phys & Astron, Riyadh 11451, Saudi Arabia

[4] Univ Djillali Liabes Sidi Bel Abbes, Fac Sci, Dept Phys, Sidi Bel Abbes 22000, Algeria

来源：

PHYSICA B-CONDENSED MATTER | 2011年 / 406卷 / 17期

关键词：

FP-LMTO; Superlattices; Ground state properties; Electronic properties; Optical properties; OPTICAL-PROPERTIES; BORON-COMPOUNDS; HIGH-PRESSURES; BAND-GAPS; BP; BAS; SEMICONDUCTORS; BN; BSB; 1ST-PRINCIPLES;

D O I：

10.1016/j.physb.2011.05.034

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

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. (C) 2011 Elsevier B.V. All rights reserved.

引用

页码：3247 / 3255

页数：9

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