First-principles study of anomalous Nernst effect in half-metallic iron dichloride monolayer
First-principles study of anomalous Nernst effect in half-metallic iron dichloride monolayer
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DOI：
10.1063/1.5143474
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发表时间：
2020-04
期刊：
影响因子：
6.1
通讯作者：
R. Syariati;S. Minami;Hikaru Sawahata;F. Ishii
中科院分区：
文献类型：
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作者：
R. Syariati;S. Minami;Hikaru Sawahata;F. Ishii
我们进行了第一性原理模拟，以阐明横向热电效应（异常能斯特效应）的半金属FeCl 2单层。基于半经典输运理论，考虑Berry曲率的影响，分析了其热电性，发现载流子掺杂引起了较大的反常能斯特效应，当弛豫时间为10 fs时，在100 K时的能斯特效应约为6.65 μV/K.这个幅度起源于一个大的贝里曲率在K点的六边形布里渊区。这些结果表明，二维铁磁半金属材料可以潜在地用于热电器件。
We performed first-principles simulations to elucidate the transverse thermoelectric effect (anomalous Nernst effect) of the half-metallic FeCl2 monolayer. We analyzed its thermoelectricity based on the semiclassical transport theory including the effect of Berry curvature and found that carrier-doping induced a large anomalous Nernst effect that was ∼6.65 μV/K at 100 K if we assumed 10 fs for the relaxation time. This magnitude originates in a large Berry curvature at the K-point of a hexagonal Brillouin zone. These results suggest that two-dimensional ferromagnetic half-metallic materials can potentially be used in thermoelectric devices.