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Title: Computational design of two-dimensional topological materials: Two-dimensional topological materials

 [1];  [2];  [3]
  1. Hefei National Laboratory for Physical Sciences at the Microscale, Synergetic Innovation Center of Quantum Information and Quantum Physics, CAS Key Laboratory of Strongly-Coupled Quantum Matter Physics, University of Science and Technology of China, Hefei China
  2. Department of Materials Science and Engineering, University of Utah, Salt Lake City UT USA
  3. Department of Materials Science and Engineering, University of Utah, Salt Lake City UT USA, Collaborative Innovation Center of Quantum Matter, Beijing China
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
Grant/Contract Number:  
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Wiley Interdisciplinary Reviews: Computational Molecular Science
Additional Journal Information:
Journal Name: Wiley Interdisciplinary Reviews: Computational Molecular Science Journal Volume: 7 Journal Issue: 4; Journal ID: ISSN 1759-0876
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
United States

Citation Formats

Wang, Z. F., Jin, Kyung-Hwan, and Liu, Feng. Computational design of two-dimensional topological materials: Two-dimensional topological materials. United States: N. p., 2017. Web. doi:10.1002/wcms.1304.
Wang, Z. F., Jin, Kyung-Hwan, & Liu, Feng. Computational design of two-dimensional topological materials: Two-dimensional topological materials. United States. doi:10.1002/wcms.1304.
Wang, Z. F., Jin, Kyung-Hwan, and Liu, Feng. Thu . "Computational design of two-dimensional topological materials: Two-dimensional topological materials". United States. doi:10.1002/wcms.1304.
title = {Computational design of two-dimensional topological materials: Two-dimensional topological materials},
author = {Wang, Z. F. and Jin, Kyung-Hwan and Liu, Feng},
abstractNote = {},
doi = {10.1002/wcms.1304},
journal = {Wiley Interdisciplinary Reviews: Computational Molecular Science},
number = 4,
volume = 7,
place = {United States},
year = {2017},
month = {3}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1002/wcms.1304

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Cited by: 11 works
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Works referenced in this record:

Spin chirality on a two-dimensional frustrated lattice
journal, March 2005

  • Grohol, Daniel; Matan, Kittiwit; Cho, Jin-Hyung
  • Nature Materials, Vol. 4, Issue 4
  • DOI: 10.1038/nmat1353

Interface-induced superconductivity and strain-dependent spin density waves in FeSe/SrTiO3 thin films
journal, May 2013

  • Tan, Shiyong; Zhang, Yan; Xia, Miao
  • Nature Materials, Vol. 12, Issue 7
  • DOI: 10.1038/nmat3654

Interaction-driven fractional quantum Hall state of hard-core bosons on kagome lattice at one-third filling
journal, July 2016

Quasiparticle dynamics in reshaped helical Dirac cone of topological insulators
journal, February 2013

  • Miao, L.; Wang, Z. F.; Ming, W.
  • Proceedings of the National Academy of Sciences, Vol. 110, Issue 8
  • DOI: 10.1073/pnas.1218104110

Interface orbital engineering of large-gap topological states: Decorating gold on a Si(111) surface
journal, March 2016

Topological nature of the FeSe 0.5 Te 0.5 superconductor
journal, September 2015

Creation of helical Dirac fermions by interfacing two gapped systems of ordinary fermions
journal, January 2013

  • Wang, Z. F.; Yao, Meng-Yu; Ming, Wenmei
  • Nature Communications, Vol. 4, Issue 1
  • DOI: 10.1038/ncomms2387

Review of the synergies between computational modeling and experimental characterization of materials across length scales
journal, November 2015

  • Dingreville, Rémi; Karnesky, Richard A.; Puel, Guillaume
  • Journal of Materials Science, Vol. 51, Issue 3
  • DOI: 10.1007/s10853-015-9551-6

A Strategy to Create Spin-Split Metallic Bands on Silicon Using a Dense Alloy Layer
journal, April 2014

  • Gruznev, Dimitry V.; Bondarenko, Leonid V.; Matetskiy, Andrey V.
  • Scientific Reports, Vol. 4, Issue 1
  • DOI: 10.1038/srep04742

Quantum anomalous Hall and quantum spin-Hall phases in flattened Bi and Sb bilayers
journal, February 2015

  • Jin, Kyung-Hwan; Jhi, Seung-Hoon
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep08426

Experimental Realization of a Three-Dimensional Topological Insulator, Bi2Te3
journal, June 2009

Tuning Topological Edge States of Bi(111) Bilayer Film by Edge Adsorption
journal, April 2014

  • Wang, Z. F.; Chen, Li; Liu, Feng
  • Nano Letters, Vol. 14, Issue 5
  • DOI: 10.1021/nl5009212

Spatial and Energy Distribution of Topological Edge States in Single Bi(111) Bilayer
journal, July 2012

Random-matrix theory of Majorana fermions and topological superconductors
journal, September 2015

Competing magnetic orderings and tunable topological states in two-dimensional hexagonal organometallic lattices
journal, January 2016

Robust Two-Dimensional Topological Insulators in Methyl-Functionalized Bismuth, Antimony, and Lead Bilayer Films
journal, January 2015

  • Ma, Yandong; Dai, Ying; Kou, Liangzhi
  • Nano Letters, Vol. 15, Issue 2
  • DOI: 10.1021/nl504037u

Topological states of non-Dirac electrons on a triangular lattice
journal, January 2016

Phase diagram and electronic indication of high-temperature superconductivity at 65 K in single-layer FeSe films
journal, May 2013

  • He, Shaolong; He, Junfeng; Zhang, Wenhao
  • Nature Materials, Vol. 12, Issue 7
  • DOI: 10.1038/nmat3648

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

Quantum spin Hall phase in 2D trigonal lattice
journal, September 2016

  • Wang, Z. F.; Jin, Kyung-Hwan; Liu, Feng
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms12746

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

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965

Massive Dirac Fermion on the Surface of a Magnetically Doped Topological Insulator
journal, August 2010

Quantum spin Hall effect in two-dimensional transition-metal dichalcogenide haeckelites
journal, June 2015

Topological edge states in a high-temperature superconductor FeSe/SrTiO3(001) film
journal, July 2016

  • Wang, Z. F.; Zhang, Huimin; Liu, Defa
  • Nature Materials, Vol. 15, Issue 9
  • DOI: 10.1038/nmat4686

Topological phases in two-dimensional materials: a review
journal, May 2016

Self-Assembled Si(111) Surface States: 2D Dirac Material for THz Plasmonics
journal, July 2015

Topological insulators with inversion symmetry
journal, July 2007

Prediction of two-dimensional topological insulator by forming a surface alloy on Au/Si(111) substrate
journal, January 2016

Quantum Spin Hall Effect in Graphene
journal, November 2005

Observation of a large-gap topological-insulator class with a single Dirac cone on the surface
journal, May 2009

  • Xia, Y.; Qian, D.; Hsieh, D.
  • Nature Physics, Vol. 5, Issue 6, p. 398-402
  • DOI: 10.1038/nphys1274

Topological insulators in Bi2Se3, Bi2Te3 and Sb2Te3 with a single Dirac cone on the surface
journal, May 2009

  • Zhang, Haijun; Liu, Chao-Xing; Qi, Xiao-Liang
  • Nature Physics, Vol. 5, Issue 6, p. 438-442
  • DOI: 10.1038/nphys1270

Au wetting and nanoparticle stability on GaAs(111)B
journal, December 2006

  • Hilner, E.; Mikkelsen, A.; Eriksson, J.
  • Applied Physics Letters, Vol. 89, Issue 25
  • DOI: 10.1063/1.2416315

Large-Gap Quantum Spin Hall Insulators in Tin Films
journal, September 2013

Model for a Quantum Hall Effect without Landau Levels: Condensed-Matter Realization of the "Parity Anomaly"
journal, October 1988

Fractionalized excitations in the spin-liquid state of a kagome-lattice antiferromagnet
journal, December 2012

  • Han, Tian-Heng; Helton, Joel S.; Chu, Shaoyan
  • Nature, Vol. 492, Issue 7429
  • DOI: 10.1038/nature11659

Robust Large Gap Two-Dimensional Topological Insulators in Hydrogenated III–V Buckled Honeycombs
journal, September 2015

Graphene-like Dirac states and quantum spin Hall insulators in square-octagonal M X 2 ( M = Mo , W; X = S , Se, Te) isomers
journal, October 2015

One-dimensional topological edge states of bismuth bilayers
journal, August 2014

  • Drozdov, Ilya K.; Alexandradinata, A.; Jeon, Sangjun
  • Nature Physics, Vol. 10, Issue 9
  • DOI: 10.1038/nphys3048

Large-gap quantum spin Hall states in decorated stanene grown on a substrate
journal, August 2015

Strain-driven band inversion and topological aspects in Antimonene
journal, November 2015

  • Zhao, Mingwen; Zhang, Xiaoming; Li, Linyang
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep16108

New Family of Quantum Spin Hall Insulators in Two-dimensional Transition-Metal Halide with Large Nontrivial Band Gaps
journal, November 2015

Quantum Spin Hall Effect in a Transition Metal Oxide Na 2 IrO 3
journal, June 2009

Chemisorption of bromine on cleaved silicon (111) surfaces: An X-ray standing wave interference spectrometric analysis
journal, November 1985

Intrinsic quantum spin Hall and anomalous Hall effects in h-Sb/Bi epitaxial growth on a ferromagnetic MnO 2 thin film
journal, January 2016

Redox Control and High Conductivity of Nickel Bis(dithiolene) Complex π-Nanosheet: A Potential Organic Two-Dimensional Topological Insulator
journal, October 2014

  • Kambe, Tetsuya; Sakamoto, Ryota; Kusamoto, Tetsuro
  • Journal of the American Chemical Society, Vol. 136, Issue 41
  • DOI: 10.1021/ja507619d

Integral quantum Hall effect for nonspecialists
journal, July 1987

A Surface Coordination Network Based on Substrate-Derived Metal Adatoms with Local Charge Excess
journal, October 2008

  • Pawin, Greg; Wong, Kin L.; Kim, Daeho
  • Angewandte Chemie International Edition, Vol. 47, Issue 44
  • DOI: 10.1002/anie.200802543

Topological insulators and superconductors
journal, October 2011

A search model for topological insulators with high-throughput robustness descriptors
journal, May 2012

  • Yang, Kesong; Setyawan, Wahyu; Wang, Shidong
  • Nature Materials, Vol. 11, Issue 7
  • DOI: 10.1038/nmat3332

Spin-polarized Dirac cones and topological nontriviality in a metal–organic framework Ni 2 C 24 S 6 H 12
journal, January 2016

  • Wei, Lin; Zhang, Xiaoming; Zhao, Mingwen
  • Physical Chemistry Chemical Physics, Vol. 18, Issue 11
  • DOI: 10.1039/C6CP00368K

High-temperature superconductivity in potassium-coated multilayer FeSe thin films
journal, June 2015

  • Miyata, Y.; Nakayama, K.; Sugawara, K.
  • Nature Materials, Vol. 14, Issue 8
  • DOI: 10.1038/nmat4302

Two-dimensional transition metal dichalcogenides with a hexagonal lattice: Room-temperature quantum spin Hall insulators
journal, January 2016

s d 2 Graphene: Kagome Band in a Hexagonal Lattice
journal, December 2014

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

Phase-Field Models for Microstructure Evolution
journal, August 2002

Studies in Molecular Dynamics. I. General Method
journal, August 1959

  • Alder, B. J.; Wainwright, T. E.
  • The Journal of Chemical Physics, Vol. 31, Issue 2
  • DOI: 10.1063/1.1730376

Quantum Spin Hall Insulator State in HgTe Quantum Wells
journal, November 2007

Edge and interfacial states in a two-dimensional topological insulator: Bi(111) bilayer on Bi 2 Te 2 Se
journal, April 2014

Quantum spin Hall effect and topological phase transition in two-dimensional square transition-metal dichalcogenides
journal, August 2015

Colloquium : Topological band theory
journal, June 2016

Topological Superconductivity on the Surface of Fe-Based Superconductors
journal, July 2016

Quantum Spin Hall Effect and Topological Phase Transition in HgTe Quantum Wells
journal, December 2006

  • Bernevig, B. A.; Hughes, T. L.; Zhang, S.-C.
  • Science, Vol. 314, Issue 5806, p. 1757-1761
  • DOI: 10.1126/science.1133734

Selective doping in a surface band and atomic structures of the Ge(111) $(\sqrt{3}\times \sqrt{3})\mathrm{R}3 0^{\circ}$–Au surface
journal, December 2012

The high-throughput highway to computational materials design
journal, February 2013

  • Curtarolo, Stefano; Hart, Gus L. W.; Nardelli, Marco Buongiorno
  • Nature Materials, Vol. 12, Issue 3
  • DOI: 10.1038/nmat3568

A topological Dirac insulator in a quantum spin Hall phase
journal, April 2008

  • Hsieh, D.; Qian, D.; Wray, L.
  • Nature, Vol. 452, Issue 7190, p. 970-974
  • DOI: 10.1038/nature06843

Quantum spin Hall effect induced by nonmagnetic and magnetic staggered potentials
journal, January 2011

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

Robustness of two-dimensional topological insulator states in bilayer bismuth against strain and electrical field
journal, June 2013

Topological field theory of time-reversal invariant insulators
journal, November 2008

  • Qi, Xiao-Liang; Hughes, Taylor L.; Zhang, Shou-Cheng
  • Physical Review B, Vol. 78, Issue 19, Article No. 195424
  • DOI: 10.1103/PhysRevB.78.195424

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

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

Evidence for Helical Edge Modes in Inverted InAs / GaSb Quantum Wells
journal, September 2011

Large-Gap Quantum Spin Hall State in MXenes: d -Band Topological Order in a Triangular Lattice
journal, September 2016

Quantum Spin Hall Effect in Silicene and Two-Dimensional Germanium
journal, August 2011

π-Conjugated Nickel Bis(dithiolene) Complex Nanosheet
journal, February 2013

  • Kambe, Tetsuya; Sakamoto, Ryota; Hoshiko, Ken
  • Journal of the American Chemical Society, Vol. 135, Issue 7
  • DOI: 10.1021/ja312380b

Functionalized germanene as a prototype of large-gap two-dimensional topological insulators
journal, March 2014

Organic topological insulators in organometallic lattices
journal, February 2013

  • Wang, Z. F.; Liu, Zheng; Liu, Feng
  • Nature Communications, Vol. 4, Issue 1
  • DOI: 10.1038/ncomms2451

Prediction of quantum anomalous Hall effect on graphene nanomesh
journal, January 2015

Flat Chern Band in a Two-Dimensional Organometallic Framework
journal, March 2013

Large-gap two-dimensional topological insulator in oxygen functionalized MXene
journal, August 2015

Observation of Unconventional Quantum Spin Textures in Topological Insulators
journal, February 2009

Tunable topological states in electron-doped HTT-Pt
journal, April 2016

Quantum Spin Hall Effect in Two-Dimensional Crystals of Transition-Metal Dichalcogenides
journal, August 2014

Quantum Anomalous Hall Effect in 2D Organic Topological Insulators
journal, May 2013

Introduction to topological superconductivity and Majorana fermions
journal, November 2012

Prediction of Large-Gap Two-Dimensional Topological Insulators Consisting of Bilayers of Group III Elements with Bi
journal, April 2014

  • Chuang, Feng-Chuan; Yao, Liang-Zi; Huang, Zhi-Quan
  • Nano Letters, Vol. 14, Issue 5
  • DOI: 10.1021/nl500206u

Graphene-Based Topological Insulator with an Intrinsic Bulk Band Gap above Room Temperature
journal, November 2013

  • Kou, Liangzhi; Yan, Binghai; Hu, Feiming
  • Nano Letters, Vol. 13, Issue 12
  • DOI: 10.1021/nl4037214

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides
journal, November 2012

  • Wang, Qing Hua; Kalantar-Zadeh, Kourosh; Kis, Andras
  • Nature Nanotechnology, Vol. 7, Issue 11, p. 699-712
  • DOI: 10.1038/nnano.2012.193

Colloquium: Topological insulators
journal, November 2010

Two-Dimensional π -Conjugated Covalent-Organic Frameworks as Quantum Anomalous Hall Topological Insulators
journal, February 2016

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

Intrinsic Two-Dimensional Organic Topological Insulators in Metal–Dicyanoanthracene Lattices
journal, February 2016

p x , y -orbital counterpart of graphene: Cold atoms in the honeycomb optical lattice
journal, June 2008

Scaling theory of the integer quantum Hall effect
journal, April 1995

Quantum spin Hall effect in two-dimensional transition metal dichalcogenides
journal, November 2014

Robust half-metallicity and topological aspects in two-dimensional Cu-TPyB
journal, September 2015

  • Zhang, Xiaoming; Zhao, Mingwen
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep14098

Electronic origin of high-temperature superconductivity in single-layer FeSe superconductor
journal, January 2012

  • Liu, Defa; Zhang, Wenhao; Mou, Daixiang
  • Nature Communications, Vol. 3, Issue 1
  • DOI: 10.1038/ncomms1946

Topological superconducting states in monolayer FeSe / SrTiO 3
journal, October 2015

Prediction of a Two-Dimensional Organic Topological Insulator
journal, May 2013

  • Wang, Z. F.; Su, Ninghai; Liu, Feng
  • Nano Letters, Vol. 13, Issue 6, p. 2842-2845
  • DOI: 10.1021/nl401147u

Observation of a universal donor-dependent vibrational mode in graphene
journal, February 2014

  • Fedorov, A. V.; Verbitskiy, N. I.; Haberer, D.
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms4257