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中国物理学会期刊

标量相对论近似下格林函数能带计算法

CSTR: 32037.14.aps.30.1122

GREEN'S FUNCTION METHOD FOR ENERGY BAND CALCULATIONS IN THE SCALAR RELATIVISTIC APPROXIMATION (SRA-KKR)

CSTR: 32037.14.aps.30.1122
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  • 略去自旋轨道耦合效应,在标量相对论近似下本文提出了一个近似的、相对论格林函数电子能带结构计算法。用这个方法可以对非相对论格林函数计算电子能带结构方法稍加改变就得到相对论效应对电子结构的影响。

     

    In this paper, a Scalar Eelativiatic Green's Function method ( SRA-KKR) neglecting spin-orbit coupling effect has been proposed for the energy band calculation. With this method, only a few modifications to the Non-Relativistic Green's Function method would be needed in order to obtain the relativiatic effect on the electronic band structure of solid.

     

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