量子审视下有限温度下的二维铁磁性

Joren Vanherck, C. Bacaksiz, B. Sor'ee, M. Milošević, W. Magnus
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引用次数: 16

摘要

近年来,二维(2D)磁性材料出现了巨大的增长,其中一些已经得到了实验验证。然而,迄今为止,大多数理论预测都依赖于零温度和无涨落的从头算方法,而在有限温度下肯定会出现有害的量子涨落。在这里,我们提出了蜂窝/六角形晶格的量子海森堡模型的解决方案,其各向异性交换相互作用可达第三近邻,并在任意方向的应用场中,回答了远程磁化是否确实可以在材料的超薄极限中生存的问题,最高温度,以及特征激发(磁振子)频率是什么,所有这些都是磁性二维材料设想应用的必要条件。我们以单层CrI3、CrBr3和MnSe2为例验证了计算结果。此外,我们提供了一个易于使用的工具来计算新的二维计算材料的居里温度。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
2D ferromagnetism at finite temperatures under quantum scrutiny
Recent years have seen a tremendous rise of two-dimensional (2D) magnetic materials, several of which verified experimentally. However, most of the theoretical predictions to date rely on ab-initio methods, at zero temperature and fluctuations-free, while one certainly expects detrimental quantum fluctuations at finite temperatures. Here we present the solution of the quantum Heisenberg model for honeycomb/hexagonal lattices with anisotropic exchange interaction up to third nearest neighbors and in an applied field in arbitrary direction, that answers the question whether long-range magnetization can indeed survive in the ultrathin limit of materials, up to which temperature, and what the characteristic excitation (magnon) frequencies are, all essential to envisaged applications of magnetic 2D materials. We validate the calculations on the examples of monolayer CrI3, CrBr3 and MnSe2. Moreover, we provide an easy-to-use tool to calculate Curie temperatures of new 2D computational materials.
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