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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