(GaAs)_(1-x)Ge_(2x)半导体合金材料的电子结构及其基态性质  

Electronic Structure and Ground-State Properties of Semiconducting Alloy (GaAs)_(1-x)Ge_(2x)

作　　者：段文晖[1] 顾秉林[1] 朱嘉麟[1] 

机构地区：[1]清华大学物理系,北京100084

出　　处：《Journal of Semiconductors》1992年第6期351-358,共8页半导体学报（英文版）

摘　　要：本文根据闪锌矿-金刚石结构的有序-无序相变模型,引入序参量M,在改进的虚晶格近似下,利用从第一性原理出发的自治LMTO-ASA方法,研究了(GaAs)_(1-x)Ge_(2x)半导体合金的电子结构和基态性质.计算结果与现有的非自治计算结果和实验结果进行了比较.计算表明,合金材料中轻、重空穴有效质量依赖于合金的有序度.计算也表明合金材料的晶格常数和体弹性模量将随组份x变化而呈现类似“V”形变化.这都说明,在有序和无序的组份区域,合金性质随组份的变化规律是不同的,应分区描述.Electronic structure and ground-state properties of semiconducting alloy (GaAs)_(1-x)Ge_2are inverstigated by the self-consistent LMTO-ASA method in the modified virtual crystal app-roximation. The order parameter M is introduced according to the model of zincblende-dia-mond order-disorder phase transition in the alloy system. The results are in good agreement withthe experiments and non-self-consistent calculations. It is shown that the effective masses of lightand heavy holes are predominantly dependent on order parameter M. The V-shape dependenceof bulk modula and equilibrium lattice constant on the composition x is predicted.

关 键 词：半导体 合金材料 电子结构 金刚石 

分 类 号：TN304.18[电子电信—物理电子学]