Theory of relative native- and impurity-defect abundances in compound semiconductors and the factors that influence them.
Theory of relative native- and impurity-defect abundances in compound semiconductors and the factors that influence them.
复制标题
DOI：
10.1103/physrevb.39.3192
复制
发表时间：
1989-02
期刊：
影响因子：
--
通讯作者：
Jansen;Sankey
中科院分区：
文献类型：
--
作者：
Jansen;Sankey
一种从头算伪原子轨道法[物理学]。Rev. B 36, 6520(1987)]用于预测一些III-V和II-VI化合物半导体中的相对点缺陷丰度和影响它们的因素。研究了原生点缺陷浓度的变化趋势，包括空位、间隙和取代缺陷，这是化学计量学、温度、化学势、宿主材料和外部杂质存在的函数。利用缺陷形成能，从平衡统计力学的角度对浓度进行了预测。
An ab initio pseudo-atomic-orbital method [Phys. Rev. B 36, 6520 (1987)] is used to predict relative point-defect abundances and the factors that influence them in a number of III-V and II-VI compound semiconductors. A study is presented of the trends in the native–point-defect concentrations including vacancies, interstitials, and substitutional defects as a function of stoichiometry, temperature, chemical potential, host material, and the presence of extrinsic impurities. The concentrations are predicted from equilibrium statistical mechanics by making use of the defect-formation energies.