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Title: Wallpaper fermions and the nonsymmorphic Dirac insulator

Abstract

Materials whose gapless surface states are protected by crystal symmetries include mirror topological crystalline insulators and nonsymmorphic hourglass insulators. There exists only a very limited set of possible surface crystal symmetries, captured by the 17 “wallpaper groups.” Here we show that a consideration of symmetry-allowed band degeneracies in the wallpaper groups can be used to understand previously described topological crystalline insulators and to predict phenomenologically distinct examples. In particular, the two wallpaper groups with multiple glide lines, pgg and p 4 g , allow for a topological insulating phase whose surface spectrum consists of only a single, fourfold-degenerate, true Dirac fermion, representing an exception to a symmetry-enhanced fermion-doubling theorem. We theoretically predict the presence of this phase in Sr 2 Pb 3 in space group 127 ( P 4 /mbm) .

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [2]; ORCiD logo [4]; ORCiD logo [5]; ORCiD logo [6]; ORCiD logo [7]; ORCiD logo [8]
  1. Department of Physics, Princeton University, Princeton, NJ 08544, USA., Nordita, Center for Quantum Materials, KTH Royal Institute of Technology and Stockholm University, Roslagstullsbacken 23, SE-106 91 Stockholm, Sweden., Department of Physics and Astronomy, University of Pennsylvania, Philadelphia, PA 19104-6323, USA.
  2. Princeton Center for Theoretical Science, Princeton University, Princeton, NJ 08544, USA.
  3. Department of Physics, Princeton University, Princeton, NJ 08544, USA.
  4. Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104-6323, USA., Department of Physics, Sungkyunkwan University (SKKU), Suwon 16419, Korea.
  5. Department of Physics and Astronomy, University of Pennsylvania, Philadelphia, PA 19104-6323, USA., Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104-6323, USA.
  6. Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104-6323, USA.
  7. Department of Physics and Astronomy, University of Pennsylvania, Philadelphia, PA 19104-6323, USA.
  8. Department of Physics, Princeton University, Princeton, NJ 08544, USA., Dahlem Center for Complex Quantum Systems and Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, Germany., Max Planck Institute of Microstructure Physics, 06120 Halle, Germany.
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1460922
Grant/Contract Number:  
NERSC; SC0016239
Resource Type:
Published Article
Journal Name:
Science
Additional Journal Information:
Journal Name: Science Journal Volume: 361 Journal Issue: 6399; Journal ID: ISSN 0036-8075
Publisher:
American Association for the Advancement of Science (AAAS)
Country of Publication:
United States
Language:
English

Citation Formats

Wieder, Benjamin J., Bradlyn, Barry, Wang, Zhijun, Cano, Jennifer, Kim, Youngkuk, Kim, Hyeong-Seok D., Rappe, Andrew M., Kane, C. L., and Bernevig, B. Andrei. Wallpaper fermions and the nonsymmorphic Dirac insulator. United States: N. p., 2018. Web. doi:10.1126/science.aan2802.
Wieder, Benjamin J., Bradlyn, Barry, Wang, Zhijun, Cano, Jennifer, Kim, Youngkuk, Kim, Hyeong-Seok D., Rappe, Andrew M., Kane, C. L., & Bernevig, B. Andrei. Wallpaper fermions and the nonsymmorphic Dirac insulator. United States. https://doi.org/10.1126/science.aan2802
Wieder, Benjamin J., Bradlyn, Barry, Wang, Zhijun, Cano, Jennifer, Kim, Youngkuk, Kim, Hyeong-Seok D., Rappe, Andrew M., Kane, C. L., and Bernevig, B. Andrei. Thu . "Wallpaper fermions and the nonsymmorphic Dirac insulator". United States. https://doi.org/10.1126/science.aan2802.
@article{osti_1460922,
title = {Wallpaper fermions and the nonsymmorphic Dirac insulator},
author = {Wieder, Benjamin J. and Bradlyn, Barry and Wang, Zhijun and Cano, Jennifer and Kim, Youngkuk and Kim, Hyeong-Seok D. and Rappe, Andrew M. and Kane, C. L. and Bernevig, B. Andrei},
abstractNote = {Materials whose gapless surface states are protected by crystal symmetries include mirror topological crystalline insulators and nonsymmorphic hourglass insulators. There exists only a very limited set of possible surface crystal symmetries, captured by the 17 “wallpaper groups.” Here we show that a consideration of symmetry-allowed band degeneracies in the wallpaper groups can be used to understand previously described topological crystalline insulators and to predict phenomenologically distinct examples. In particular, the two wallpaper groups with multiple glide lines, pgg and p 4 g , allow for a topological insulating phase whose surface spectrum consists of only a single, fourfold-degenerate, true Dirac fermion, representing an exception to a symmetry-enhanced fermion-doubling theorem. We theoretically predict the presence of this phase in Sr 2 Pb 3 in space group 127 ( P 4 /mbm) .},
doi = {10.1126/science.aan2802},
journal = {Science},
number = 6399,
volume = 361,
place = {United States},
year = {2018},
month = {7}
}

Journal Article:
Free Publicly Available Full Text
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https://doi.org/10.1126/science.aan2802

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Works referenced in this record:

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

Wannier center sheets in topological insulators
journal, March 2014


Equivalent expression of Z 2 topological invariant for band insulators using the non-Abelian Berry connection
journal, August 2011


Projector augmented-wave method
journal, December 1994


Maximally localized Wannier functions: Theory and applications
journal, October 2012

  • Marzari, Nicola; Mostofi, Arash A.; Yates, Jonathan R.
  • Reviews of Modern Physics, Vol. 84, Issue 4
  • DOI: 10.1103/RevModPhys.84.1419

Condensed-Matter Simulation of a Three-Dimensional Anomaly
journal, December 1984


Hourglass fermions
journal, April 2016

  • Wang, Zhijun; Alexandradinata, A.; Cava, R. J.
  • Nature, Vol. 532, Issue 7598
  • DOI: 10.1038/nature17410

The Hg-Sr (Mercury-Strontium) System
journal, February 2005


Three-dimensional Dirac semimetal and quantum transport in Cd 3 As 2
journal, September 2013


QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

Classification of stable three-dimensional Dirac semimetals with nontrivial topology
journal, September 2014

  • Yang, Bohm-Jung; Nagaosa, Naoto
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms5898

Topological Phases Protected by Point Group Symmetry
journal, February 2017


Wilson-loop characterization of inversion-symmetric topological insulators
journal, April 2014


Anomalies and odd dimensions
journal, September 1985


Existence of bulk chiral fermions and crystal symmetry
journal, April 2012


Dirac Semimetal in Three Dimensions
journal, April 2012


Tunable Luttinger Liquid Physics in Biased Bilayer Graphene
journal, May 2010


Topological crystalline insulators in the SnTe material class
journal, January 2012

  • Hsieh, Timothy H.; Lin, Hsin; Liu, Junwei
  • Nature Communications, Vol. 3, Article No. 982
  • DOI: 10.1038/ncomms1969

The electronic properties of graphene
journal, January 2009

  • Castro Neto, A. H.; Guinea, F.; Peres, N. M. R.
  • Reviews of Modern Physics, Vol. 81, Issue 1, p. 109-162
  • DOI: 10.1103/RevModPhys.81.109

Unconventional Chiral Fermions and Large Topological Fermi Arcs in RhSi
journal, November 2017


Topological semimetals with helicoid surface states
journal, June 2016

  • Fang, Chen; Lu, Ling; Liu, Junwei
  • Nature Physics, Vol. 12, Issue 10
  • DOI: 10.1038/nphys3782

Two new compounds, β-ScTe and Y 3 Au 2 , and a reassessment of Y 2 Au
journal, October 2011

  • Chai, Ping; Corbett, John D.
  • Acta Crystallographica Section C Crystal Structure Communications, Vol. 67, Issue 11
  • DOI: 10.1107/S010827011103589X

Topological insulators with inversion symmetry
journal, July 2007


Absence of neutrinos on a lattice
journal, July 1981


On the Sr-Pb system
journal, September 1981


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


Topological valley transport at bilayer graphene domain walls
journal, April 2015


Solitons with fermion number ½
journal, June 1976


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


Filling-Enforced Magnetic Dirac Semimetals in Two Dimensions
journal, May 2017


FINDSYM : program for identifying the space-group symmetry of a crystal
journal, January 2005


Topological Insulators in Three Dimensions
journal, March 2007


Dirac semimetal and topological phase transitions in A 3 Bi ( A = Na , K, Rb)
journal, May 2012


Computing topological invariants without inversion symmetry
journal, June 2011


Möbius Kondo insulators
journal, April 2017

  • Chang, Po-Yao; Erten, Onur; Coleman, Piers
  • Nature Physics, Vol. 13, Issue 8
  • DOI: 10.1038/nphys4092

Organizing symmetry-protected topological phases by layering and symmetry reduction: A minimalist perspective
journal, March 2018


( d 2 ) -Dimensional Edge States of Rotation Symmetry Protected Topological States
journal, December 2017


Controlling the Electronic Structure of Bilayer Graphene
journal, August 2006


Topological crystalline materials: General formulation, module structure, and wallpaper groups
journal, June 2017


Gravitational anomalies
journal, April 1984


Berry Curvature on the Fermi Surface: Anomalous Hall Effect as a Topological Fermi-Liquid Property
journal, November 2004


Topological invariants of time-reversal-invariant band structures
journal, March 2007


Self-consistent effective-mass theory for intralayer screening in graphite intercalation compounds
journal, February 1984


Optimized pseudopotentials
journal, January 1990

  • Rappe, Andrew M.; Rabe, Karin M.; Kaxiras, Efthimios
  • Physical Review B, Vol. 41, Issue 2
  • DOI: 10.1103/PhysRevB.41.1227

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


Highly convergent schemes for the calculation of bulk and surface Green functions
journal, April 1985

  • Sancho, M. P. Lopez; Sancho, J. M. Lopez; Sancho, J. M. L.
  • Journal of Physics F: Metal Physics, Vol. 15, Issue 4
  • DOI: 10.1088/0305-4608/15/4/009

Observation of a topological crystalline insulator phase and topological phase transition in Pb1−xSnxTe
journal, January 2012

  • Xu, Su-Yang; Liu, Chang; Alidoust, N.
  • Nature Communications, Vol. 3, Issue 1
  • DOI: 10.1038/ncomms2191

Filling constraints for spin-orbit coupled insulators in symmorphic and nonsymmorphic crystals
journal, November 2015

  • Watanabe, Haruki; Po, Hoi Chun; Vishwanath, Ashvin
  • Proceedings of the National Academy of Sciences, Vol. 112, Issue 47
  • DOI: 10.1073/pnas.1514665112

Time reversal polarization and a Z 2 adiabatic spin pump
journal, November 2006


Solitons in Polyacetylene
journal, June 1979


Higher-order topological insulators
journal, June 2018

  • Schindler, Frank; Cook, Ashley M.; Vergniory, Maia G.
  • Science Advances, Vol. 4, Issue 6
  • DOI: 10.1126/sciadv.aat0346

Topological nonsymmorphic crystalline insulators
journal, August 2014


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

Critical behavior of four-terminal conductance of bilayer graphene domain walls
journal, August 2015


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


Topological Crystalline Insulators
journal, March 2011


Anomalous topological pumps and fractional Josephson effects
journal, July 2014


Author Correction: Higher-order topology in bismuth
journal, September 2018


Topological crystalline insulator states in Pb1−xSnxSe
journal, September 2012

  • Dziawa, P.; Kowalski, B. J.; Dybko, K.
  • Nature Materials, Vol. 11, Issue 12
  • DOI: 10.1038/nmat3449

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

Dirac Fermions in Solids: From High-T c Cuprates and Graphene to Topological Insulators and Weyl Semimetals
journal, March 2014


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

New classes of three-dimensional topological crystalline insulators: Nonsymmorphic and magnetic
journal, April 2015


Gauge Noninvariance and Parity Nonconservation of Three-Dimensional Fermions
journal, January 1984


Gate-induced insulating state in bilayer graphene devices
journal, December 2007

  • Oostinga, Jeroen B.; Heersche, Hubert B.; Liu, Xinglan
  • Nature Materials, Vol. 7, Issue 2
  • DOI: 10.1038/nmat2082

Refinement of the Crystal Structure of Sr3Hg2
journal, March 1996

  • Druska, Ch.; Doert, Th.; B�ttcher, P.
  • Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 622, Issue 3
  • DOI: 10.1002/zaac.19966220304

Topological insulators avoid the parity anomaly
journal, August 2013


Quick iterative scheme for the calculation of transfer matrices: application to Mo (100)
journal, May 1984

  • Sancho, M. P. Lopez; Sancho, J. M. Lopez; Rubio, J.
  • Journal of Physics F: Metal Physics, Vol. 14, Issue 5
  • DOI: 10.1088/0305-4608/14/5/016

Berry-phase description of topological crystalline insulators
journal, May 2016


Surface states and topological invariants in three-dimensional topological insulators: Application to Bi1xSbx
journal, July 2008

  • Teo, Jeffrey C. Y.; Fu, Liang; Kane, C. L.
  • Physical Review B, Vol. 78, Issue 4, Article No. 045426
  • DOI: 10.1103/PhysRevB.78.045426

Spontaneous Quantum Hall States in Chirally Stacked Few-Layer Graphene Systems
journal, April 2011


Topological Insulators from Group Cohomology
journal, April 2016


Critical behavior of a point contact in a quantum spin Hall insulator
journal, June 2009


Triple point fermions in a minimal symmorphic model
journal, June 2017


Discovery of a Three-Dimensional Topological Dirac Semimetal, Na3Bi
journal, January 2014


Gate-controlled topological conducting channels in bilayer graphene
journal, August 2016


Designed nonlocal pseudopotentials for enhanced transferability
journal, May 1999


Experimental realization of a topological crystalline insulator in SnTe
journal, September 2012

  • Tanaka, Y.; Ren, Zhi; Sato, T.
  • Nature Physics, Vol. 8, Issue 11
  • DOI: 10.1038/nphys2442

Topology of nonsymmorphic crystalline insulators and superconductors
journal, May 2016


Double Dirac Semimetals in Three Dimensions
journal, May 2016


Data for "Wallpaper Fermions and the Nonsymmorphic Dirac Insulator"
dataset, January 2018

  • University), Kim, Youngkuk (Department Of Physics, Sungkyunkwan
  • Harvard Dataverse
  • DOI: 10.7910/DVN/EUGQDU

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
journal, July 2013

  • Jain, Anubhav; Ong, Shyue Ping; Hautier, Geoffroy
  • APL Materials, Vol. 1, Issue 1
  • DOI: 10.1063/1.4812323

Experimental evidence of hourglass fermion in the candidate nonsymmorphic topological insulator KHgSb
journal, May 2017


Classification of topological crystalline insulators based on representation theory
journal, January 2016


Topological quantum chemistry
journal, July 2017

  • Bradlyn, Barry; Elcoro, L.; Cano, Jennifer
  • Nature, Vol. 547, Issue 7663
  • DOI: 10.1038/nature23268

Dirac Semimetals in Two Dimensions
journal, September 2015


Helical Liquid and the Edge of Quantum Spin Hall Systems
journal, March 2006


Model Characterization of Gapless Edge Modes of Topological Insulators Using Intermediate Brillouin-Zone Functions
journal, July 2011


Z 2 topology in nonsymmorphic crystalline insulators: Möbius twist in surface states
journal, April 2015


Layered Topological Crystalline Insulators
journal, August 2015


Landau-Level Degeneracy and Quantum Hall Effect in a Graphite Bilayer
journal, March 2006


Experimental Realization of a Three-Dimensional Dirac Semimetal
journal, July 2014


Fractional charge and zero modes for planar systems in a magnetic field
journal, May 1984


Beyond Dirac and Weyl fermions: Unconventional quasiparticles in conventional crystals
journal, July 2016


Spin-Orbit-Free Topological Insulators without Time-Reversal Symmetry
journal, September 2014


Bulk Dirac Points in Distorted Spinels
journal, January 2014


Spin-orbit semimetals in the layer groups
journal, October 2016