CrI3和其他二维材料临界温度的理论和模拟：易轴磁序和易平面Kosterlitz-Bronchless转变
Theory and simulations of critical temperatures in CrI3 and other 2D materials: Easy-axis magnetic order and easy-plane Kosterlitz-Thouless transitions
摘要：
最近在几种二维（2D）材料中对铁磁有序的观察引起了人们对2D磁性物理机制的极大兴趣。在目前的前瞻性文章中，我们表明，密度泛函理论（DFT）结合经典的蒙特卡罗模拟或重整化自旋波理论可以预测居里温度的铁磁绝缘体，在定量与实验一致。的情况下，与面内各向异性的材料进行了讨论，有人认为，有限的尺寸效应可能会导致可观察到的宏观样品中的磁秩序，即使长距离磁秩序是禁止的Mermin-瓦格纳定理。
英文摘要：
The recent observations of ferromagnetic order in several two-dimensional (2D) materials have generated an enormous interest in the physical mechanisms underlying 2D magnetism. In the present prospective article we show that Density Functional Theory (DFT) combined with either classical Monte Carlo simulations or renormalized spin-wave theory can predict Curie temperatures for ferromagnetic insulators that are in quantitative agreement with experiment. The case of materials with in-plane anisotropy is then discussed and it is argued that finite size effects may lead to observable magnetic order in macroscopic samples even if long range magnetic order is forbidden by the Mermin-Wagner theorem.
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