Composition-dependent elastic modulus, vibration frequency and polaron properties of ZnSe_xTei_(1-x)system

S. Saib; N. Bouarissa; P. Rodriguez-Hernandez; A. Munoz

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Composition-dependent elastic modulus, vibration frequency and polaron properties of ZnSe_xTei_(1-x)system

机译：ZnSe_xTei_（1-x）系统的成分依赖性弹性模量，振动频率和极化子性质

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摘要

Using first-principles pseudopotential approach based on the density functional perturbation theory under the virtual crystal approximation, the compositional dependence of the elastic modulus, zone-center optical phonon modes, and polaron properties of the alloy system ZnSe_xTe_(1-x) over the whole compositional range from pure ZnTe to pure ZnSe is presented and discussed. Generally, a reasonably good agreement is obtained between our results and the available experimental data for ZnTe and ZnSe parent compounds. Other case, our results are predictions and may serve for a reference for future work.

机译：在虚拟晶体近似下，使用基于密度泛函微扰理论的第一原理拟势方法，对合金体系ZnSe_xTe_（1-x）的弹性模量，区域中心光学声子模和极化子性质的组成依赖性介绍并讨论了从纯ZnTe到纯ZnSe的组成范围。通常，我们的结果与ZnTe和ZnSe母体化合物的可用实验数据之间获得了相当好的协议。在其他情况下，我们的结果只是预测，可能为将来的工作提供参考。

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来源
《Optical Materials》 |2013年第12期|2303-2308|共6页
作者
S. Saib; N. Bouarissa; P. Rodriguez-Hernandez; A. Munoz;
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作者单位

Physics Department Faculty of Science and Engineering University of M'sila 28000 M'sila Algeria;

Department of Physics College of Science and Arts Najran University P.O. Box 1988 Najran Saudi Arabia Centre for Advanced Materials and Nano-Research (CAMNR) Najran University Najran 11001 Saudi Arabia;

Departamento de Fisica Fundamental II Universidad de La Laguna La Laguna E-38205 Tenerife Spain;

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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);
原文格式 PDF
正文语种 eng
中图分类
关键词
Elastic modulus; Lattice vibration modes; Polaron properties; ZnSe_xTe_(1-x)system; First-principles calculations;

机译：弹性模量晶格振动模式;极化子性质;ZnSe_xTe_（1-x）系统;第一性原理计算;

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Composition-dependent elastic modulus, vibration frequency and polaron properties of ZnSe_xTei_(1-x)system

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