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Band structure and lattice vibration properties of III-P ternary alloys

机译:III-P三元合金的能带结构和晶格振动特性

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Electronic band structure, optical and vibrational properties of zinc-blende GaPxSb1-x and GaAs1-xPx ternary alloys are obtained from pseudo-potential calculations. Comparisons are made with the available experimental values and with data obtained in previous theoretical studies. These comparisons show generally good agreement between the present results and experiment. The direct and indirect band-gap energies, the transverse effective charge, and the longitudinal and transversal optical phonon energies show a non-linear behavior with varying the composition x. The ionicity of the materials of interest is discussed in terms of the antisymmetric gap. (c) 2007 Elsevier B.V. All rights reserved.
机译:通过伪电势计算,获得了闪锌矿型GaPxSb1-x和GaAs1-xPx三元合金的电子能带结构,光学和振动特性。与可用的实验值和先前理论研究中获得的数据进行比较。这些比较表明,目前的结果和实验之间总体吻合良好。直接和间接带隙能量,横向有效电荷以及纵向和横向光声子能量显示出随成分x改变的非线性行为。根据反对称间隙讨论了目标材料的离子性。 (c)2007 Elsevier B.V.保留所有权利。

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