High throughput screening of magnetic thermoelectric materials based on anomalous Nernst effect by first-principles study

The thermoelectric conversion based on the anomalous Nernst effect (ANE) has attracted attention because the ANE realizes the high-density integration more easily compared to that based on the Seebeck effect. This effect is induced by the anomalous Hall conductivity (AHC), and if the AHC changes drastically as a function of the Fermi level, we expect the large ANE [1]. In this study, we implemented the method of computing AHC in metallic systems efficiently [2] to OpenMX code, and we performed high-throughput screening, searching for two-dimensional ferromagnetic materials which have the large Nernst coefficient by the first-principles calculation.
[1] Y. P. Mizuta, H. Sawahata, and F. Ishii, Phys. Rev. B 98, 205125 (2018).
[2] T. Fukui, Y. Hatsugai, and H. Suzuki, J. Phys. Soc. Jpn. 74, 1674 (2005).