论文标题
Kubo-Bastin公式的新分解
A new decomposition of the Kubo-Bastin formula
论文作者
论文摘要
文献中广泛使用Kubo线性响应公式的SMRCKA-STREDA版本来计算异质结构的非平衡运输特性。它对于评估与Bloch状态的浆果曲率相关的固有运输特性，例如异常和自旋霍尔电流以及旋转轨道扭矩的阻尼样组件。在这里，我们以非常一般的方式证明了Smrcka和Streda引入的广泛使用的Kubo-Bastin公式的分解包含一个重叠，这导致文献中有关费米表面和费米海的贡献的广泛混乱。为了纠正这种病理，我们根据相关函数的排列属性提出了新的kubo-bastin公式的新分解，并得出一组新的公式，而无需重叠，该公式可直接访问感兴趣的传输效应。我们将这些新公式应用于选定的案例，并证明Fermi Sea和Fermi表面贡献可以通过我们的对称方法独特地解决。
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.
