论文标题
一种计算方法，用于估计固态系统中旋转轨道相互作用强度
A computational method to estimate spin-orbital interaction strength in solid state systems
论文作者
论文摘要
自旋轨道耦合（SOC）在固态物理学中驱动有趣和非平凡的现象，从拓扑到磁性到传输特性。对这种现象的详尽研究通常需要明确包括SOC期限的有效模型。但是，此类模型的SOC强度的估计主要取决于光谱实验，而光谱实验只能提供粗略的估计。在这项工作中，我们提供了一种简单而有效的计算方法，以结合$ ab $ $ $ $ initio $和紧密结合计算的结合来估算现场SOC强度。我们证明了考虑具有不同SOC强度和SOC活跃离子数量的材料的方法的更广泛的适用性和高灵敏度。估计的SOC优势与我们方法的文献贷款支持中提出的价值观非常吻合。这种简单的方法可以很容易地应用于多种材料。
Spin-orbit coupling (SOC) drives interesting and non-trivial phenomena in solid state physics, ranging from topological to magnetic to transport properties. Thorough study of such phenomena often require effective models where SOC term is explicitly included. However, estimation of SOC strength for such models mostly depend on the spectroscopy experiments which can only provide a rough estimate. In this work, we provide a simple yet effective computational approach to estimate the on-site SOC strength using a combination of the $ab$ $initio$ and tight-binding calculations. We demonstrate the wider applicability and high sensitivity of our method considering materials with varying SOC strengths and the number of SOC active ions. The estimated SOC strengths agree well with the proposed values in literature lending support to our methodology. This simplistic approach can readily be applied to a wide range of materials.
