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Chin. Phys. B, 2019, Vol. 28(3): 037101    DOI: 10.1088/1674-1056/28/3/037101
CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES Prev   Next  

Graphene-like Be3X2 (X=C, Si, Ge, Sn): A new family of two-dimensional topological insulators

Lingling Song(宋玲玲)1, Lizhi Zhang(张礼智)2, Yurou Guan(官雨柔)1, Jianchen Lu(卢建臣)1, Cuixia Yan(闫翠霞)1, Jinming Cai(蔡金明)1
1 Faculty of Materials Science and Engineering, Kunming University of Science and Technology, Kunming 650093, China;
2 Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
Abstract  

Using first-principle calculations, we predict a new family of stable two-dimensional (2D) topological insulators (TI), monolayer Be3X2 (X=C, Si, Ge, Sn) with honeycomb Kagome lattice. Based on the configuration of Be3C2, which has been reported to be a 2D Dirac material, we construct the other three 2D materials and confirm their stability according to their chemical bonding properties and phonon-dispersion relationships. Because of their tiny spin-orbit coupling (SOC) gaps, Be3C2 and Be3Si2 are 2D Dirac materials with high Fermi velocity at the same order of magnitude as that of graphene. For Be3Ge2 and Be3Sn2, the SOC gaps are 1.5 meV and 11.7 meV, and their topological nontrivial properties are also confirmed by their semi-infinite Dirac edge states. Our findings not only extend the family of 2D Dirac materials, but also open an avenue to track new 2DTI.

Keywords:  Dirac materials      topological insulator      first-principles calculation      spin-orbit coupling  
Received:  05 November 2018      Revised:  20 December 2018      Published:  05 March 2019
PACS:  71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)  
  73.20.At (Surface states, band structure, electron density of states)  
Corresponding Authors:  Cuixia Yan, Jinming Ca     E-mail:  j.cai@kmsut.edu;cuixiayan09@gmail.com

Cite this article: 

Lingling Song(宋玲玲), Lizhi Zhang(张礼智), Yurou Guan(官雨柔), Jianchen Lu(卢建臣), Cuixia Yan(闫翠霞), Jinming Cai(蔡金明) Graphene-like Be3X2 (X=C, Si, Ge, Sn): A new family of two-dimensional topological insulators 2019 Chin. Phys. B 28 037101

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