Data for "Layer Nernst and thermal Hall effects in two-dimensional antiferromagnets"

In two-dimensional (2D) layered materials, the layer acts as a crucial degree of freedom, enabling the emergence of exotic physical phenomena through its coupling with charge and spin. Here, using first-principles calculations and group theory analysis, we reveal that layer Nernst and layer thermal Hall effects are present in various 2D A-type layered antiferromagnets, including the metal Hf2S, the normal insulator CrI3, and the topological insulator MnBi2Te4. The application of an out-of-plane electric field removes the key magnetic group symmetries and breaks the spin degeneracy of the electronic structures in these 2D antiferromagnets. This spin splitting induces an imbalanced distribution of Berry curvature between the top and bottom layers. By quantitatively calculating the layer-resolved Nernst and thermal Hall conductivities, we confirm the existence of nonzero transverse charge and heat currents in response to a longitudinal temperature gradient field. The calculated conductivities are comparable to, or even exceed, those of previously well-known altermagnets and noncollinear antiferromagnets that exhibit anomalous Nernst and thermal Hall effects. Our findings provide deeper insights into the thermal transport properties of 2D layered antiferromagnets and pave the way for future developments in antiferromagnetic spintronics, spin caloritronics, and layertronics.在二维（2D）层状材料中，层作为关键自由度，通过与电荷和自旋的耦合，可催生诸多新奇物理现象。本文基于第一性原理计算（first-principles calculations）与群论分析（group theory analysis），揭示了多种二维A型层状反铁磁体中存在层能斯特效应（layer Nernst effect）与层热霍尔效应（layer thermal Hall effect），所涵盖的体系包括金属Hf₂S、普通绝缘体CrI₃以及拓扑绝缘体MnBi₂Te₄。施加面外电场（out-of-plane electric field）会破坏这类二维反铁磁体的关键磁群对称性（magnetic group symmetries），并打破其电子结构的自旋简并度（spin degeneracy）。这种自旋劈裂将导致顶层与底层间的贝里曲率（Berry curvature）分布失衡。通过定量计算层分辨能斯特与热霍尔电导率（layer-resolved Nernst and thermal Hall conductivities），我们证实了在纵向温度梯度场（longitudinal temperature gradient field）作用下，体系存在非零的横向电荷流与热流。本研究计算得到的电导率可与此前已报道的、展现反常能斯特与热霍尔效应的交变磁体（altermagnets）及非共线反铁磁体相媲美，甚至更优。本研究成果为二维层状反铁磁体的热输运特性提供了更为深入的认知，并为反铁磁自旋电子学（antiferromagnetic spintronics）、自旋热电子学（spin caloritronics）以及层电子学（layertronics）的后续发展铺平了道路。