Enhanced anomalous Nernst effects in ferromagnetic materials driven by Weyl nodes
Enhanced anomalous Nernst effects in ferromagnetic materials driven by Weyl nodes
复制标题
DOI：
10.1088/1361-6463/ac3351
复制
发表时间：
2021-05
期刊：
影响因子：
--
通讯作者：
I. Samathrakis;Teng Long;Zeying Zhang;H. Singh;Hongbin Zhang
中科院分区：
文献类型：
--
作者：
I. Samathrakis;Teng Long;Zeying Zhang;H. Singh;Hongbin Zhang
基于高通量(HTP)第一性原理计算，我们计算了266个过渡金属基铁磁性化合物的反常霍尔电导和反常能斯特电导。基于对称性和Berry曲率的详细分析表明，反常的Hall/Nernst电导奇异行为的根源主要是位于费米能量附近的Weyl节线或节线的出现，这种节线可以进一步被双轴应变和磁场等外部刺激所裁剪。此外，这种计算是通过自动构造Wannier函数来实现的，成功率为92%，这为使用Wannier内插对物理属性(例如传输属性)执行准确的HTP评估铺平了道路。
Based on high-throughput (HTP) first-principles calculations, we evaluated the anomalous Hall and anomalous Nernst conductivities of 266 transition-metal-based ferromagnetic compounds. Detailed analysis based on the symmetries and Berry curvatures reveals that the origin of singular-like behavior of anomalous Hall/Nernst conductivities can be mostly attributed to the appearance of Weyl nodes or nodal lines located in the proximity of the Fermi energy, which can be further tailored by external stimuli such as biaxial strains and magnetic fields. Moreover, such calculations are enabled by the automated construction of Wannier functions with a success rate of 92%, which paves the way to perform accurate HTP evaluation of the physical properties such as the transport properties using the Wannier interpolation.