Predication of topological states in the allotropes of group-IV elements

doi:10.1007/s11467-021-1075-8

Front. Phys.

2021, Vol. 16

Issue (6) : 63503 https://doi.org/10.1007/s11467-021-1075-8

RESEARCH ARTICLE

Predication of topological states in the allotropes of group-IV elements

Chengyong Zhong^1,^2,³(

)

¹. National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093, China
². Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093, China
³. Institute for Advanced Study, Chengdu University, Chengdu 610106, China

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Abstract

Three-dimensional (3D) topological insulators (TIs) have been studied for approximately fifteen years, but those made from group-IV elements, especially Ge and Sn, seem particularly attractive owing to their nontoxicity, sizable intrinsic spin–orbit coupling (SOC) strength and natural compatibility with the current semiconductor industry. However, group-IV elemental TIs have rarely been reported, except for the low temperature phase of α-Sn under strain. Here, based on first-principles calculations, we propose new allotropes of Ge and Sn, named T5-Ge/Sn, as desirable TIs. These new allotropes are also highly anisotropic Dirac semimetals if the SOC is turned off. To the best of our knowledge, T5-Ge/Sn are the first 3D allotropes of Ge/Sn that possess topological states in their equilibrium states at room temperature. Additionally, their isostructures of C and Si are metastable indirect and direct semiconductors. Our work not only reveals two promising TIs, but more profoundly, we justify the advantages of group-IV elements as topological quantum materials (TQMs) for fundamental research and potential practical applications, and thus reveal a new direction in the search for desirable TQMs.

Keywords topological insulators topological semimetals group-IV elements first-principles calculations

Corresponding Author(s): Chengyong Zhong

Issue Date: 18 June 2021

Cite this article:

Chengyong Zhong. Predication of topological states in the allotropes of group-IV elements[J]. Front. Phys. , 2021, 16(6): 63503.

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https://academic.hep.com.cn/fop/EN/10.1007/s11467-021-1075-8
https://academic.hep.com.cn/fop/EN/Y2021/V16/I6/63503

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