skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Robustness of topological insulating phase against vacancy, vacancy cluster, and grain boundary bulk defects

; ; ORCiD logo
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
Grant/Contract Number:  
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 101 Journal Issue: 12; Journal ID: ISSN 2469-9950
American Physical Society
Country of Publication:
United States

Citation Formats

Ni, Xiaojuan, Huang, Huaqing, and Liu, Feng. Robustness of topological insulating phase against vacancy, vacancy cluster, and grain boundary bulk defects. United States: N. p., 2020. Web. doi:10.1103/PhysRevB.101.125114.
Ni, Xiaojuan, Huang, Huaqing, & Liu, Feng. Robustness of topological insulating phase against vacancy, vacancy cluster, and grain boundary bulk defects. United States. doi:
Ni, Xiaojuan, Huang, Huaqing, and Liu, Feng. Thu . "Robustness of topological insulating phase against vacancy, vacancy cluster, and grain boundary bulk defects". United States. doi:
title = {Robustness of topological insulating phase against vacancy, vacancy cluster, and grain boundary bulk defects},
author = {Ni, Xiaojuan and Huang, Huaqing and Liu, Feng},
abstractNote = {},
doi = {10.1103/PhysRevB.101.125114},
journal = {Physical Review B},
number = 12,
volume = 101,
place = {United States},
year = {2020},
month = {3}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 2 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Bismuthene on a SiC substrate: A candidate for a high-temperature quantum spin Hall material
journal, June 2017

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Realization of tunable Dirac cone and insulating bulk states in topological insulators (Bi1−xSbx)2Te3
journal, December 2012

  • Niu, Chengwang; Dai, Ying; Zhu, Yingtao
  • Scientific Reports, Vol. 2, Issue 1
  • DOI: 10.1038/srep00976

Theoretical paradigm for the quantum spin Hall effect at high temperatures
journal, October 2018

The nontrivial electronic structure of Bi/Sb honeycombs on SiC(0001)
journal, February 2015

Spin and Charge Transport of Multiorbital Quantum Spin Hall Insulators
journal, May 2019

A generalized Read–Shockley model and large scale simulations for the energy and structure of graphene grain boundaries
journal, January 2016

  • Shekhawat, Ashivni; Ophus, Colin; Ritchie, Robert O.
  • RSC Advances, Vol. 6, Issue 50
  • DOI: 10.1039/C6RA07584C

Theory of spin Bott index for quantum spin Hall states in nonperiodic systems
journal, September 2018

Prediction of electronic and magnetic properties in 3d-transition-metal X-doped bismuthene (X = V, Cr, Mn and Fe)
journal, August 2019

wannier90: A tool for obtaining maximally-localised Wannier functions
journal, May 2008

  • Mostofi, Arash A.; Yates, Jonathan R.; Lee, Young-Su
  • Computer Physics Communications, Vol. 178, Issue 9
  • DOI: 10.1016/j.cpc.2007.11.016

Defects and high bulk resistivities in the Bi-rich tetradymite topological insulator Bi 2 + x Te 2 x Se
journal, October 2012

Controlling Bulk Conductivity in Topological Insulators: Key Role of Anti-Site Defects
journal, March 2012

  • Scanlon, D. O.; King, P. D. C.; Singh, R. P.
  • Advanced Materials, Vol. 24, Issue 16
  • DOI: 10.1002/adma.201200187

Computational design of two-dimensional topological materials: Two-dimensional topological materials
journal, March 2017

  • Wang, Z. F.; Jin, Kyung-Hwan; Liu, Feng
  • Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 7, Issue 4
  • DOI: 10.1002/wcms.1304

Influence of the vacancy-defect and transition-metal doping in arsenene: A first-principles study
journal, August 2019

Maximally localized generalized Wannier functions for composite energy bands
journal, November 1997

Quantum Spin Hall Effect and Spin Bott Index in a Quasicrystal Lattice
journal, September 2018

Exotic electronic states in the world of flat bands: From theory to material
journal, July 2014

Quantum Spin Hall Effect and Enhanced Magnetic Response by Spin-Orbit Coupling
journal, December 2006

Toward Realistic Amorphous Topological Insulators
journal, October 2019

Intrinsic point defects in buckled and puckered arsenene: a first-principles study
journal, January 2017

  • Iordanidou, K.; Kioseoglou, J.; Afanas’ev, V. V.
  • Physical Chemistry Chemical Physics, Vol. 19, Issue 15
  • DOI: 10.1039/C7CP00040E

Stable Nontrivial Z 2 Topology in Ultrathin Bi (111) Films: A First-Principles Study
journal, September 2011

Formation of a quantum spin Hall state on a Ge(111) surface
journal, January 2016

Topological defects in graphene: Dislocations and grain boundaries
journal, May 2010

Formation of quantum spin Hall state on Si surface and energy gap scaling with strength of spin orbit coupling
journal, November 2014

  • Zhou, Miao; Ming, Wenmei; Liu, Zheng
  • Scientific Reports, Vol. 4, Issue 1
  • DOI: 10.1038/srep07102

Quantum spin Hall insulators and quantum valley Hall insulators of BiX/SbX (X=H, F, Cl and Br) monolayers with a record bulk band gap
journal, December 2014

  • Song, Zhigang; Liu, Cheng-Cheng; Yang, Jinbo
  • NPG Asia Materials, Vol. 6, Issue 12
  • DOI: 10.1038/am.2014.113

Stability of Z 2 topological order in the presence of vacancy-induced impurity band
journal, May 2014

Monte Carlo simulations of electrical percolation in multicomponent thin films with nanofillers
journal, January 2018

Structures, mobility and electronic properties of point defects in arsenene, antimonene and an antimony arsenide alloy
journal, January 2017

  • Sun, Xiaotian; Liu, Yunxia; Song, Zhigang
  • Journal of Materials Chemistry C, Vol. 5, Issue 17
  • DOI: 10.1039/C7TC00306D

Modification of electronic structure, magnetic structure, and topological phase of bismuthene by point defects
journal, December 2017

Grain Boundaries in Graphene on SiC(0001̅) Substrate
journal, October 2014

  • Tison, Yann; Lagoute, Jérôme; Repain, Vincent
  • Nano Letters, Vol. 14, Issue 11
  • DOI: 10.1021/nl502854w

Honeycomb lattice with multiorbital structure: Topological and quantum anomalous Hall insulators with large gaps
journal, August 2014

Two-dimensional group-VA nanomaterials beyond black phosphorus: synthetic methods, properties, functional nanostructures and applications
journal, January 2019

  • Gui, Rijun; Jin, Hui; Sun, Yujiao
  • Journal of Materials Chemistry A, Vol. 7, Issue 45
  • DOI: 10.1039/C9TA09582A

Z2 Topological Order and the Quantum Spin Hall Effect
journal, September 2005

Topologically protected states and half-metal behaviors: Defect-strain synergy effects in two-dimensional antimonene
journal, July 2019

Understanding Bulk Defects in Topological Insulators from Nuclear-Spin Interactions
journal, December 2013

  • Koumoulis, Dimitrios; Leung, Belinda; Chasapis, Thomas C.
  • Advanced Functional Materials, Vol. 24, Issue 11
  • DOI: 10.1002/adfm.201302673

Simplified LCAO Method for the Periodic Potential Problem
journal, June 1954

Quantum Spin Hall Effect in Graphene
journal, November 2005

Testing topological protection of edge states in hexagonal quantum spin Hall candidate materials
journal, October 2018

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

What are grain boundary structures in graphene?
journal, January 2014

  • Li, Zheng-Lu; Li, Zhi-Ming; Cao, Hai-Yuan
  • Nanoscale, Vol. 6, Issue 8
  • DOI: 10.1039/C3NR06823D

Percolation and cluster distribution. I. Cluster multiple labeling technique and critical concentration algorithm
journal, October 1976

Epitaxial growth of large-gap quantum spin Hall insulator on semiconductor surface
journal, September 2014

  • Zhou, Miao; Ming, Wenmei; Liu, Zheng
  • Proceedings of the National Academy of Sciences, Vol. 111, Issue 40
  • DOI: 10.1073/pnas.1409701111

A 3D percolation model for multicomponent nanocarbon composites: the critical role of nematic transition
journal, February 2019

Localized edge states in two-dimensional topological insulators: Ultrathin Bi films
journal, March 2011

Mechanical and thermal properties of grain boundary in a planar heterostructure of graphene and hexagonal boron nitride
journal, January 2018

Maximally localized Wannier functions for entangled energy bands
journal, December 2001

Grain boundary structure and migration in graphene via the displacement shift complete lattice
journal, March 2019