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arXiv 2201.07750cond-mat.mtrl-sci
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Ta2NiSe5:一个多能带反转的拓扑激子绝缘体

Ta2NiSe5: a candidate topological excitonic insulator with multiple band inversions

Xiaobo Ma, Guangwei Wang, Huican Mao, Zhihong Yuan, Tianye Yu, Rui Liu, Yiran Peng, Pengyu Zheng, Zhiping Yin

摘要:

基于密度泛函理论研究了准一维激子绝缘体Ta 2 NiSe 5的正交相和单斜相的电子结构和拓扑性质.与以前研究的许多拓扑绝缘体中费米能级上的单宇称或能带反转不同,Ta 2NiSe 5的两相中存在多宇称和能带反转,有或没有自旋-轨道耦合,导致更复杂和拓扑非平凡的电子结构。还得到了低温单斜相的狄拉克锥型表面态。在本文中,我们证明了Ta 2NiSe 5是一个有前途的候选人作为一个三维拓扑激子绝缘体。

英文摘要:

The electronic structures and topological properties of the orthorhombic and monoclinic phases of the quasi-one-dimensional excitonic insulator Ta2NiSe5 are investigated based on density functional theory. In contrast to a single parity or band inversion across the Fermi level in many topological insulators studied previously, there are multiple parity and band inversions with or without spin-orbit coupling in both phases of Ta2NiSe5, resulting in more complex and topologically nontrivial electronic structures. The Dirac cone type surface states of the low-temperature monoclinic phase are also obtained. In this paper, we demonstrate that Ta2NiSe5 is a promising candidate as a three-dimensional topological excitonic insulator.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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