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arXiv · 1512.05084

First principle calculation of the effective Zeeman's couplings in topological materials

Zhi-Da Song·Song Sun·Yuan-Feng Xu·Si-Min Nie·Hong-Ming Weng·Zhong Fang·Xi Dai
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Abstract

In this paper, we propose a first principle calculation method for the effective Zeeman's coupling based on the second perturbation theory and apply it to a few topological materials. For Bi and Bi$_2$Se$_3$, our numerical results are in good accord with the experimental data; for Na$_3$Bi, TaN, and ZrTe$_5$, the structure of the multi-bands Zeeman's couplings are discussed. Especially, we discuss the impact of Zeeman's coupling on the Fermi surface's topology in Na$_3$Bi in detail.

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Zhi-Da Song, Song Sun, Yuan-Feng Xu, Si-Min Nie, Hong-Ming Weng, Zhong Fang, Xi Dai. 2015-12-16. First principle calculation of the effective Zeeman's couplings in topological materials. https://arxiv.org/abs/1512.05084

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