First-principles calculations of elasticity, polarization-related properties, and nonlinear optical coefficients in Zn-IV-N2 compounds

被引：81

作者：

Paudel, Tula R. ^{[1
]}

Lambrecht, Walter R. L. ^{[1
]}

机构：

[1] Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA

来源：

PHYSICAL REVIEW B | 2009年 / 79卷 / 24期

关键词：

density functional theory; elasticity; electro-optical effects; germanium compounds; nonlinear optics; perturbation theory; piezoelectricity; polarisation; silicon compounds; tin compounds; zinc compounds; FUNCTIONAL PERTURBATION-THEORY; PIEZOELECTRIC COEFFICIENTS; ALUMINUM NITRIDE; ELECTRIC-FIELDS; GALLIUM NITRIDE; GAN; SUSCEPTIBILITIES; DISPLACEMENTS; INN; ALN;

D O I：

10.1103/PhysRevB.79.245205

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Elastic stiffness and compliance tensor components, spontaneous polarization, piezoelectric constants, and second-order nonlinear optical coefficients in the static limit, including the strain-free (clamped) and stress-free (unclamped) electro-optic tensors, are calculated using the density functional perturbation theory approach for Zn-IV-N-2 compounds with IV=(Si,Ge,Sn) and compared with the corresponding values in III-N with III=(Al,Ga,In).

引用

页数：6

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