立方半导体中双空位态的电子结构(Ⅰ)——基本方程组

利用Koster-Slater的格林函数方法,给出了决定立方半导体中理想双空位在禁带中引入的不同对称态的能级和波函数的完整的方程组。主体半导体的能带结构用一经验的紧束缚哈密顿量来描述,缺陷引入的微扰势则采用在位势近似。在此基本假定下,这些方程组仅涉及到主体半导体的在位(on-site)和离位(off-site)格林函数以及这些格林函数对能量E的微商。 关键词：

ELECTRONIC STRUCTURE OF THE DIVACANCY IN SEMICONDUCTORS (Ⅰ)——BASIC EQUATIONS

A complete set of equations for determining the energy levels and the wavefunc-tions with different symmetry of electronic states of the ideal divacancy in cubic semiconductors is obtained using the Koster-Slater Green's function method. Using an empirical tight binding Hamiltonian for the band structure of the host and the on-site pertubation approximation for the defect, only the on-site and the off-site Green's functions of the host and their derivatives with respect to energy E are involved in these equations.