对“正确和不正确的手征磁相互作用”的评论”的答复
Reply to 'Comment on "Proper and improper chiral magnetic interactions" '
摘要：
在我们的上一封信[Phys. Rev. B 103，L140408（2021）]中，我们讨论了参数化原子自旋模型的相互作用的基本物理性质，并结合第一性原理方法进行了讨论，这些方法使它们能够针对给定材料进行计算。这解释了其中一些方法如何明显导致不符合预期物理特性的磁相互作用，例如Dzyaloshinskiii-Moriya相互作用，它是非手性的，不依赖于自旋轨道相互作用，因此我们称之为“不适当”。在前面的评论[物理学评论B 105，026401]中，作者提出的论点是基于使用第一性原理计算来支持他们提出的非手性Dzyaloshinskiii-Moriya相互作用的全局和局部方法之间的区别，以及他们对我们区分“适当”和“不适当”磁相互作用的驳回。在这个答复中，我们确定了在映射的局部方法中缺少的步骤，并解释了忽略这一步骤如何导致识别不符合既定物理原理的磁相互作用，我们以前称之为“不正确”。
英文摘要：
In our previous Letter [Phys. Rev. B 103, L140408 (2021)], we presented a discussion of the fundamental physical properties of the interactions parameterizing atomistic spin models in connection to first-principles approaches that enable their calculation for a given material. This explained how some of those approaches can apparently lead to magnetic interactions that do not comply with the expected physical properties, such as Dzyaloshinskii-Moriya interactions which are non-chiral and independent of the spin-orbit interaction, and which we consequently termed `improper'. In the preceding Comment [Phys. Rev. B 105, 026401], the authors present arguments based on the distinction between global and local approaches to the mapping of the magnetic energy using first-principles calculations to support their proposed non-chiral Dzyaloshinskii-Moriya interactions and their dismissal of our distinction between `proper' and `improper' magnetic interactions. In this Reply, we identify the missing step in the local approach to the mapping and explain how ignoring this step leads to the identification of magnetic interactions which do not comply with established physical principles and that we have previously termed `improper'.
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