Robust Topological States in Bi2Se3 against Surface Oxidation

Yang, Jiali1,2,3,4; Zheng, Baobing3,4,6; Chen, Zhongjia3,4; Xu, Wangping1,2; Wang, Rui1,2,3,4; Xu, Hu3,4,5

2020-03-19

10.1021/acs.jpcc.0c00458

Journal of Physical Chemistry C   影响因子和分区

1932-7447

1932-7455

Nontrivial surface states in topological insulators originate from the bulk band topology and thus are protected against nonmagnetic surface perturbations. However, previous theoretical findings exhibit the fragility of surface electronic properties caused by surface oxidation in the topological insulator bismuth selenide (Bi2Se3) even though the oxidation reaction does not break the time-reversal symmetry. Motivated by this question, using first-principles calculations, we revisit to systematically investigate surface oxidation in Bi2Se3. The results reveal that the hybridized states derived from O atoms and substrate Se (or Bi) atoms keep far away from the Fermi level and thus topological surface states can remain intact in the band gap. We further study the oxidation of Bi2Se3 in O-2-rich and -poor conditions, and the topological surface states are always preserved at the interface between oxidized and non-oxidized layers. The robustness of topological surface states against surface oxidization matches with topological invariant features. This work provides the exotic insight into topological insulators coexisting with a time-reversal invariant chemical reaction.

SCI

英语

通讯

Fund of the Guangdong Provincial Key Laboratory of Computational Science and Material Design[2019B030301001]

Chemistry ; Science & Technology - Other Topics ; Materials Science

Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary

WOS:000526396000039

AMER CHEMICAL SOC

Web of Science

1.Chongqing Univ, Inst Struct & Funct, Chongqing 400044, Peoples R China
2.Chongqing Univ, Dept Phys, Chongqing 400044, Peoples R China
3.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Peoples R China
4.Southern Univ Sci & Technol, Inst Quantum Sci & Engn, Shenzhen 518055, Peoples R China
5.Southern Univ Sci & Technol, Guangdong Prov Key Lab Computat Sci & Mat Design, Shenzhen 518055, Peoples R China
6.Baoji Univ Arts & Sci, Coll Phys & Optoelect Technol, Nonlinear Res Inst, Baoji 721016, Peoples R China

Yang, Jiali,Zheng, Baobing,Chen, Zhongjia,et al. Robust Topological States in Bi2Se3 against Surface Oxidation[J]. Journal of Physical Chemistry C,2020,124(11):6253-6259.

Yang, Jiali,Zheng, Baobing,Chen, Zhongjia,Xu, Wangping,Wang, Rui,&Xu, Hu.(2020).Robust Topological States in Bi2Se3 against Surface Oxidation.Journal of Physical Chemistry C,124(11),6253-6259.

Yang, Jiali,et al."Robust Topological States in Bi2Se3 against Surface Oxidation".Journal of Physical Chemistry C 124.11(2020):6253-6259.