双层体系异磁性的一般堆积理论

Baoru Pan, Pan Zhou, Pengbo Lyu, Huaping Xiao, Xuejuan Yang, Lizhong Sun
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引用次数: 0

摘要

最近有人提出可以在扭曲的反铁磁性双层材料中实现二维(2D)变磁性,这为在二维材料中实现变磁性提供了一种实验上可行的方法。尽管如此,人们对双层体系中出现反铁磁性的机理仍缺乏全面的了解。在这封信中,我们引入了一般堆积理论(GST)作为双层体系中出现变磁性的关键条件,从而弥补了这一空白。GST 提供了直截了当的标准,仅根据组成单层的层基就能预测双分子层是否表现出异磁自旋分裂。根据 GST,只有 7 个双分子层的点组能促进变磁性的出现。研究发现,除了先前提出的反铁磁性扭曲 vdW 堆积之外,通过对称限制的两个单层直接堆积而形成的双层膜甚至也会出现反磁性。通过将 GST 与第一原理计算相结合,我们展示了双层膜显示出另一种磁性的实例。我们的工作为设计具有改变磁性的各种双层体系建立了一个稳健的框架,从而为这一领域的基础研究和实际应用开辟了新的途径。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
General Stacking Theory for Altermagnetism in Bilayer Systems
Two-dimensional (2D) altermagnetism was recently proposed to be attainable in twisted antiferromagnetic bilayers providing an experimentally feasible approach to realize it in 2D materials. Nevertheless, a comprehensive understanding of the mechanism governing the appearance of altermagnetism in bilayer systems is still absent. In present letter, we address this gap by introducing a general stacking theory (GST) as a key condition for the emergence of altermagnetism in bilayer systems. The GST provides straightforward criteria to predict whether a bilayer demonstrates altermagnetic spin splitting, solely based on the layer groups of the composing monolayers. According to the GST, only seven point groups of bilayers facilitate the emergence of altermagnetism. It is revealed that, beyond the previously proposed antiferromagnetic twisted vdW stacking, altermagnetism can even emerge in bilayers formed through the symmetrically restricted direct stacking of two monolayers. By combining the GST and first-principles calculations, we present illustrative examples of bilayers demonstrating altermagnetism. Our work establishes a robust framework for designing diverse bilayer systems with altermagnetism, thereby opening up new avenues for both fundamental research and practical applications in this field.
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