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

doi:10.1088/1674-1056/28/3/037101

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
Accepted manuscript online:

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

[1]	Castro Neto A H, Guinea F, Peres N M R, Novoselov K S and Geim A K 2009 Rev. Mod. Phys. 81 109
[2]	Novoselov K 2007 Nat. Mater. 6 720
[3]	Wang Z F, Liu Z and Liu F 2013 Nat. Commun. 4 1471
[4]	Zhou M, Ming W, Liu Z, Wang Z, Li P and Liu F 2014 Proc. Natl. Acad. Sci. USA 111 14378
[5]	Zhu F F, Chen W J, Xu Y, Gao C L, Guan D D, Liu C H, Qian D, Zhang S C and Jia J F 2015 Nat. Mater. 14 1020
[6]	Zhang L Z, Zhai F, Jin K H, Cui B, Huang B, Wang Z, Lu J Q and Liu F 2017 Nano Lett. 17 4359
[7]	Kane C L and Mele E J 2005 Phys. Rev. Lett. 95 226801
[8]	Zhang L Z, Wang Z F, Huang B, Cui B, Wang Z, Du S X, Gao H J and Liu F 2016 Nano Lett. 16 2072
[9]	Huang B, Jin K H, Zhuang H L, Zhang L and Liu F 2016 Phys. Rev. B 93 115117
[10]	Li P, Zhou M, Zhang L, Guo Y and Liu F 2016 Nanotechnology 27 095703
[11]	Chuang F C, Hsu C H, Huang Z Q, Kuo C C, Liu Y T, Lin H and Bansil A 2015 New J. Phys. 17 025005
[12]	Young S M and Kane C L 2015 Phys. Rev. Lett. 115 126803
[13]	Kane C L and Mele E J 2005 Phys. Rev. Lett. 95 146802
[14]	Qi X L and Zhang S C 2011 Rev. Mod. Phys. 83 1057
[15]	Schumayer D and Hutchinson D A W 2011 Rev. Mod. Phys. 83 769
[16]	Yao Y, Ye F, Qi X L, Zhang S C and Fang Z 2007 Phys. Rev. B 75 041401
[17]	Mayorov A S, Elias D C, Mukhin I S, Morozov S V, Ponomarenko L A, Novoselov K S, Geim A K and Gorbachev R V 2012 Nano Lett. 12 4629
[18]	Liu C C, Feng W and Yao Y 2011 Phys. Rev. Lett. 107 076802
[19]	Dai X 2016 Physics 12 5
[20]	Cahangirov S, Topsakal M, Akturk E, Sahin H and Ciraci S 2009 Phys. Rev. Lett. 107 076802
[21]	Malko D, Neiss C, Vines F and Goerling A 2012 Phys. Rev. Lett. 108 086804
[22]	Xu L C, Wang R Z, Miao M S, Wei X L, Chen Y P, Yan H, Lau W M, Liu L M and Ma Y M 2014 Nanoscale 6 1113
[23]	Zhang L Z, Wang Z F, Wang Z M, Du S X, Gao H J and Liu F 2015 J. Phys. Chem. Lett. 6 2959
[24]	Cheng H E, Ming-Hui L U and Chen Y F 2008 Physics 1 16
[25]	Li L, Kong X, Leenaerts O, Chen X, Sanyal B and Peeters F M 2017 Carbon 118 258
[26]	Zhang L Z, Wang Z F, Du S X, Gao H J and Liu F 2014 Phys. Rev. B 90 161402
[27]	Liu P F, Wu Y, Bo T, Hou L, Xu J, Zhang H J and Wang B T 2018 Phys. Chem. Chem. Phys. Pccp 20 732
[28]	Wang B, Yuan S, Li Y, Shi L and Wang J 2017 Nanoscale 9 5577
[29]	Xu Y, Yan B, Zhang H J, Wang J, Xu G, Tang P, Duan W and Zhang S C 2013 Phys. Rev. Lett. 111 136804
[30]	Stadler R, Wolf W, Podloucky R, Kresse G, Furthmã1/4Ller J and Hafner J 1996 Phys. Rev. B 54 1729
[31]	Kresse G and Joubert D 1999 Phys. Rev. B 59 1758
[32]	Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[33]	Parlinski K, Li Z Q and Kawazoe Y 1997 Phys. Rev. Lett. 78 4063
[34]	Togo A, Oba F and Tanaka I 2008 Phys. Rev. B 78 134106
[35]	Mostofi A A, Yates J R, Pizzi G, Lee Y S, Souza I, Vanderbilt D and Marzari N 2014 Comput. Phys. Commun. 185 2309
[36]	Wu Q S, Zhang S N, Song H F, Troyer M and Soluyanov A A 2018 Comput. Phys. Commun. 224 405
[37]	Becke A D and Edgecombe K E 1990 J. Chem. Phys. 92 5397
[38]	Savin A, Jepsen O, Flad J, Andersen O K, Preuss H and Von Schnering H G 1992 Angew. Chem. 31 187
[39]	Wallace P R 1947 Phys. Rev. 71 622

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

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