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首页> 外文期刊>Solar Energy >An ab initio study of the electronic structure and optical properties of CdS_(1-x)Te_x alloys
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An ab initio study of the electronic structure and optical properties of CdS_(1-x)Te_x alloys

机译：从头开始研究CdS_（1-x）Te_x合金的电子结构和光学性质

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摘要

The structural, electronic and optical properties of cubic CdS_(1-x)Te_x alloys, with Te-concentrations varying from 0% up to 100% are investigated. The calculations are based on the total-energy calculations using the full potential-linearized augmented plane wave (FP-LAPW) method. The exchange and correlation potential is treated by the generalized-gradient approximation (GGA) for the total-energy calculations, while for electronic properties in addition to that the Engel-Vosko (EV-GGA) formalism was also applied. The ground state properties for all Te-concentrations are presented. The optical dielectric constant is also determined for both the binary and their related ternary alloys.
机译：研究了立方CdS_（1-x）Te_x合金的结构，电子和光学性质，其Te浓度从0％到100％不等。这些计算基于使用完全势能线性化增强平面波（FP-LAPW）方法的总能量计算。交换和相关势用广义梯度近似（GGA）来处理，用于总能量计算，而对于电子属性，除了恩格尔-沃斯科（EV-GGA）形式主义之外，还采用了这种方法。给出了所有Te浓度的基态性质。还确定了二元及其相关三元合金的光学介电常数。

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  • 来源
    《Solar Energy》 |2010年第12期|p.1979-1984|共6页
  • 作者

    Y. Al-Douri; Ali Hussain Reshak; H. Baaziz; Z. Charifi; R. Khenata; S. Ahmad; U. Hashim;

  • 作者单位

    Institute of Nano Electronic Engineering, University Malaysia Perils, 01000 Kangar, Perlis, Malaysia;

    Institute of Nano Electronic Engineering, University Malaysia Perils, 01000 Kangar, Perlis, Malaysia,Institute of Physical Biology, South Bohemia University, Nove Hrady 37333, Czech Republic;

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

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

    Laboratoire de Physique Quantique et de Modelisation Mathematique (LPQ3M), Universite de Mascara, 29000 Mascara, Algeria,Department of Physics and Astronomy, Faculty of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia;

    Institute of Nano Electronic Engineering, University Malaysia Perils, 01000 Kangar, Perlis, Malaysia;

    Institute of Nano Electronic Engineering, University Malaysia Perils, 01000 Kangar, Perlis, Malaysia;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    cds_(1-x)te_x; EVGGA; FP-LAPW; optical constants;

    机译：cds_（1-x）te_x;EVGGA;FP-LAPW;光学常数;

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