谱函数非耗散部分的收敛四面体方法计算
Converging tetrahedron method calculations for the nondissipative parts of spectral functions
摘要：
固体物理学中的许多物理量都是通过k空间求和来计算的。对于谱函数，频变因子可分解为能量守恒的δ函数部分和非耗散主值部分。一个非常有用的方案，这种k空间求和是四面体方法。四面体方法已被广泛用于计算能量守恒的δ函数部分的总和，例如介电函数的虚部。另一方面，相应的四面体方法的非耗散部分，如实部的介电函数还没有使用很多。在本文中，我们解决的技术困难，四面体方法的非耗散部分，并提出了一个易于实现的，稳定的方法来克服这些困难。我们证明了我们的方法通过计算静态和动态自旋霍尔电导率的铂。我们的方法可以广泛应用于计算线性静态或动态电导率，电子的自能，和电极化率，仅举几例。
英文摘要：
Many physical quantities in solid-state physics are calculated from k-space summation. For spectral functions, the frequency-dependent factor can be decomposed into the energy-conserving delta function part and the nondissipative principal value part. A very useful scheme for this k-space summation is the tetrahedron method. Tetrahedron methods have been widely used to calculate the summation of the energy-conserving delta function part such as the imaginary part of the dielectric function. On the other hand, the corresponding tetrahedron method for the nondissipative part such as the real part of the dielectric function has not been used much. In this paper, we address the technical difficulties in the tetrahedron method for the nondissipative part and present an easy-to-implement, stable method to overcome those difficulties. We demonstrate our method by calculating the static and dynamical spin Hall conductivity of platinum. Our method can be widely applied to calculate linear static or dynamical conductivity, self-energy of an electron, and electric polarizability, to name a few.
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