| Al_xGa_（1－x）As虚晶近似LMTO能带的自洽计算 |
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| 引用本文： | 王仁智,柯三黄,黄美纯.Al_xGa_（1－x）As虚晶近似LMTO能带的自洽计算[J].厦门大学学报(自然科学版),1995(1). |
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| 作者姓名： | 王仁智 柯三黄 黄美纯 |
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| 基金项目： | 国家和福建省自然科学基金 |
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| 摘 要： | 对于包含芯态的全电子势的ＬＭＴＯ－ＡＳＡ能带计算方法，建议用一种虚晶近似的合金能带计算方法（ＬＭＴＯ－ＡＳＡ－ＶＣＡ），文中着重研究该方法的能带自洽迭代计算方案，在Ａｌ＿ｘＧａ＿（１－ｘ）Ａｓ合金能带计算中获得合理的虚晶近似的能带结构。
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| 关 键 词： | AlGaAs，虚晶近，合金能带 |
Self-consistent Virtual Crystal Calculation of Electronic Structure for Al_xGa_(1-x)As Alloy |
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| Wang Renzhi,Ke Sanhuang,Huang Meichun.Self-consistent Virtual Crystal Calculation of Electronic Structure for Al_xGa_(1-x)As Alloy[J].Journal of Xiamen University(Natural Science),1995(1). |
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| Authors: | Wang Renzhi Ke Sanhuang Huang Meichun |
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| Institution: | Dept. of Phys. |
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| Abstract: | A method of virtual crystal approximation calculation is suggested,which is basedon the all-electron scalar relativistic LMTO-ASA band structure method.The self-consistent iterarioncalculation approach in this method is emphasized,The application of this method to Al_xGa_(1-x)As alloyproduces reasonable virtual crystal band structures. |
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| Keywords: | AlGaAs Virtual crystal approximation Alloy energy band |
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