用变分法计算超晶格材料能带过程的一种新的包络函数构造方法

A New Choosing Method of Envelope Function for the Energy-band Calculation of Superlattices with Variational Method

在以往用变分法计算超晶格材料能带结构的工作基础上，提出一种新的包络函数构造方法，该方法具有通用性，可方便地用于多种材料构成的任意结构的超晶格，可使复杂的数值运算过程得以简化，尤其对由多种材料构成的超晶格更为明显。与已报道的理论计算结果的比较表明：对于Ｌｕｔｔｉｎｇｅｒ参数及Ｋａｎｅ矩阵元相同的材料体系结果完全一致；对于不同的体系，也符合得很好。

Anew construction method of envelope function for energy- bands calculation of superlattices ispresented,which is able to reduce the numerical process.Comparisions with the reported calculationsshowed that if Luttinger’s parameters and Kane’s Matrix elements are the same in both materials,the resultobtained by this method is in agreement with the reports, and if not,the result is also close to thereports.