Electronic structure calculations of magnesium chalcogenides MgS and MgSe

被引：58
作者：
Rached, D
Benkhettou, N
Soudini, B
Abbar, B
Sekkal, N
Driz, M
机构：
[1] Univ Djillali LIABES, Appl Mat Lab, Dept Phys, Res Ctr,CFTE, Sidi Bel Abbes 22000, Algeria
[2] Univ Djillali LIABES, Comp Mat Sci Lab, Dept Phys, Res Ctr,CFTE, Sidi Bel Abbes 22000, Algeria
来源：
PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 2003年 / 240卷 / 03期
关键词：
D O I：
10.1002/pssb.200301889
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Theoretical results on the structural and the electronic properties of MgS and MgSe are presented. The calculations were made using the full-potential linear muffin-tin orbitals (FP-LMTO) method augmented by a plane wave (PLW) basis. It was found that the electronic properties in the B1, B3 and B4 structures of these magnesium chalcogenides show good agreement compared to other works. Through these results the power of these calculation methods applied to the magnesium chalcogenides was confirmed. (C) 2003 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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页码：565 / 573
页数：9
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