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
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.
引用
收藏
页码:4549 / 4558
页数:10
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