二维材料中的反铁磁性：进展与计算挑战
Antiferromagnetism in two-dimensional materials: progress and computational challenges
AI总结：
本文综述二维反铁磁材料的自旋补偿序、实验体系与密度泛函计算方法，并以单层NiBr₂为例讨论磁激发及Néel温度预测挑战。
摘要：
我们提出了一项关于二维（2D）材料中反铁磁性研究现状的观点。文中讨论了多种类型的自旋补偿序，包括非共线序、自旋螺旋和交变铁磁性。自旋轨道效应最终决定化合物是否表现出长程有序、Kosterlitz–Thouless物理或多铁性，并且我们讨论了根据磁各向异性和有序矢量可能在二维材料中出现的基本磁性原型。文中总结了已通过实验表征的二维反铁磁体，特别强调了磁各向异性和Néel温度。随后，我们概述了利用密度泛函理论描述磁性所需的要素，尤其是根据广义Bloch定理和磁力定理系统确定磁性基态；磁力定理可用于根据第一性原理确定的参数，由Heisenberg模型计算磁激发。这些方法通过应用于单层螺旋磁体NiBr₂加以示例说明。最后，我们总结了已预测和有前景的二维反铁磁体，并讨论了从第一性原理预测Néel温度所面临的挑战。
英文摘要：
We present a perspective on the status of antiferromagnetism in two-dimensional (2D) materials. Various types of spin-compensated orders are discussed and include non-collinear order, spin spirals and altermagnetism. Spin-orbit effects ultimately determine, whether compounds exhibit long range order, Kosterlitz-Thouless physics, or multiferroic properties and we discuss the basic magnetic prototypes that may arise in 2D materials depending on the magnetic anisotropy and ordering vector. A summary of 2D antiferromagnets that have been characterized experimentally is provided - with particular emphasis on magnetic anisotropies and Neel temperatures. We then outline the ingredients needed to describe the magnetic properties using density functional theory. In particular, the systematic determination of magnetic ground states from the generalized Bloch theorem and the magnetic force theorem, which may be used to calculate magnetic excitations from the Heisenberg model with parameters determined from first principles. The methods are exemplified by application to the monolayer helimagnet NiBr$_2$. Finally, we present a summary of predicted and prospective 2D antiferromagnets and discuss the challenges associated with the prediction of Néel temperatures from first principles.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
