ELECTRONIC-STRUCTURE OF WIDE-BAND-GAP TERNARY PNICTIDES WITH THE CHALCOPYRITE STRUCTURE

被引：59
作者：
PETUKHOV, AG
LAMBRECHT, WRL
SEGALL, B
机构：
[1] Department of Physics, Case Western Reserve University, Cleveland
来源：
PHYSICAL REVIEW B | 1994年 / 49卷 / 07期
关键词：
D O I：
10.1103/PhysRevB.49.4549
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Electronic band structures, equilibrium lattice constants and structural parameters, cohesive energies, and bulk moduli calculated by means of the linear-muffin-tin-orbital method are presented for BeCN2, MgCN2, BeSiN2, MgSiN2, and MgSiP2 in the chalcopyrite structure. The relationships of these compounds to the ''parent'' III-V compounds are clarified.
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页码：4549 / 4558
页数：10
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