Band structure and electronic properties of native defects in cubic SiC.
Band structure and electronic properties of native defects in cubic SiC.
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立方碳化硅原生缺陷的能带结构和电子特性。
DOI：
10.1103/physrevb.36.1130
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发表时间：
1987
期刊：
影响因子：
--
通讯作者：
Lin
中科院分区：
文献类型：
--
作者：
Li;Lin
一组半经验表达式的两个中心的积分，这些量的原子特性，介电常数，固体的离子性的明确的依赖关系，也对原子间的分离构造碳化硅。在计算半导体电子能带结构的紧束缚方法中，这些积分进入代表哈密顿矩阵元的Slater-Koster参数。然后，使用大集群递归方法来确定与每个轨道在一个给定的原子位置的状态的局部密度，并研究与SiC中的原生缺陷相关联的电子状态。
A set of semiempirical expressions for the two-center integrals which show the explicit dependence of these quantities on the atomic characteristics, on the dielectric constant, on the ionicity of the solid, and also on the interatomic separations is constructed for silicon carbide. These integrals enter the Slater-Koster parameters representing the Hamiltonian matrix elements in the tight-binding method of calculating the electronic band structure of the semiconductors. A large-cluster recursion method is then used to determine the local density of states associated with each orbital at a given atomic site and also to study the electronic states associated with native defects in SiC.