| 一种计算半导体合金能带的LMTO-ASA-VCA方法 |
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| 引用本文： | 王仁智,黄美纯.一种计算半导体合金能带的LMTO-ASA-VCA方法[J].厦门大学学报(自然科学版),1987(2). |
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| 作者姓名： | 王仁智 黄美纯 |
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| 作者单位： | 夏门大学物理学系
(王仁智)，夏门大学物理学系(黄美纯) |
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| 基金项目： | 国家教委重点科技项目基金 |
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| 摘 要： | 本文依据全电子LMTO-ASA能带计算方法的特点,提出LMTO-ASA-VCA合金能带结构计算的虚晶近似方案,用于Ga_(1-x)AlxAs的计算,所得各组分下的能带结构、态密度及弯曲参数等均显示虚晶近似的特征,合金的价电子能量总和及ASA球中包含的价电子电荷数随组分的变化都接近于线性,表明本计算方案是合理可行的.
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LMTO-ASA-VCA Method far Calculating Band Structure of Semiconductor Alloys |
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| Wang Renzhi Huang Meichun.LMTO-ASA-VCA Method far Calculating Band Structure of Semiconductor Alloys[J].Journal of Xiamen University(Natural Science),1987(2). |
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| Authors: | Wang Renzhi Huang Meichun |
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| Institution: | Dept. of physics |
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| Abstract: | Based on the distingush ed feature of the all-electron LMTO-ASA method, a LMTO ASA Virtual Crystal Approximation (VCA) method for calculating band structure of semiconductor alloy is suggested and applied to the Ga1. xA1xAs system. It is found that the compositional dependence of band structure, density of states and bowing parameter clearly shows the basic feature of the VCA. The sum of valence electronic energies in alloy and the valency charge contained in the ASA spheres are found to be linearly dependent on compositional factors. Therefore, the LMTO-ASA-VCA Method is reasonable |
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| Keywords: | LMTO-AS A-VCA method Band structure Semiconductor alloys |
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