Kubo-Bastin公式的一种新分解
A new decomposition of the Kubo-Bastin formula
摘要：
库博线性响应公式的Smrcka-Streda版本在文献中被广泛用于计算异质结构的非平衡输运性质。它是特别有用的固有输运性质的评价与布洛赫态的Berry曲率，如异常和自旋霍尔电流以及阻尼的自旋轨道力矩的分量。在这里，我们证明了在一个非常普遍的方式，广泛使用的分解的库博-巴斯丁公式引入Smrcka和Streda包含一个重叠，这导致了广泛的混乱，在文献中关于费米面和费米海的贡献。为了补救这种病理，我们提出了一个新的分解的Kubo-Bastin公式的基础上的置换性质的关联函数，并推导出一组新的公式，没有重叠，提供了直接访问感兴趣的传输效果。我们将这些新的公式应用到选定的情况下，证明了费米海和费米表面的贡献，可以唯一地解决与我们的对称化方法。
英文摘要：
The Smrcka-Streda version of Kubo's linear response formula is widely used in the literature to compute non-equilibrium transport properties of heterostructures. It is particularly useful for the evaluation of intrinsic transport properties associated with the Berry curvature of the Bloch states, such as anomalous and spin Hall currents as well as the damping-like component of the spin-orbit torque. Here, we demonstrate in a very general way that the widely used decomposition of the Kubo-Bastin formula introduced by Smrcka and Streda contains an overlap, which has lead to widespread confusion in the literature regarding the Fermi surface and Fermi sea contributions. To remedy this pathology, we propose a new decomposition of the Kubo-Bastin formula based on the permutation properties of the correlation function and derive a new set of formulas, without an overlap, that provides direct access to the transport effects of interest. We apply these new formulas to selected cases and demonstrate that the Fermi sea and Fermi surface contributions can be uniquely addressed with our symmetrized approach.
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