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Title: Topological crystalline insulators and Dirac octets in antiperovskites

Abstract

We predict a class of topological crystalline insulators in the antiperovskite material family with the chemical formula A 3 BX. Here the nontrivial topology arises from band inversion between two J = 3/2 quartets, which is described by a generalized Dirac equation for a “Dirac octet.” Furthermore our work suggests that antiperovskites are a promising venue for exploring the cooperative interplay between band topology, crystal symmetry, and electron correlation.

Authors:
 [1];  [1];  [1]
  1. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Publication Date:
Research Org.:
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE
OSTI Identifier:
1505782
Alternate Identifier(s):
OSTI ID: 1180165
Grant/Contract Number:  
SC0010526
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 90; Journal Issue: 8; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Hsieh, Timothy H., Liu, Junwei, and Fu, Liang. Topological crystalline insulators and Dirac octets in antiperovskites. United States: N. p., 2014. Web. doi:10.1103/physrevb.90.081112.
Hsieh, Timothy H., Liu, Junwei, & Fu, Liang. Topological crystalline insulators and Dirac octets in antiperovskites. United States. doi:10.1103/physrevb.90.081112.
Hsieh, Timothy H., Liu, Junwei, and Fu, Liang. Wed . "Topological crystalline insulators and Dirac octets in antiperovskites". United States. doi:10.1103/physrevb.90.081112. https://www.osti.gov/servlets/purl/1505782.
@article{osti_1505782,
title = {Topological crystalline insulators and Dirac octets in antiperovskites},
author = {Hsieh, Timothy H. and Liu, Junwei and Fu, Liang},
abstractNote = {We predict a class of topological crystalline insulators in the antiperovskite material family with the chemical formula A3BX. Here the nontrivial topology arises from band inversion between two J = 3/2 quartets, which is described by a generalized Dirac equation for a “Dirac octet.” Furthermore our work suggests that antiperovskites are a promising venue for exploring the cooperative interplay between band topology, crystal symmetry, and electron correlation.},
doi = {10.1103/physrevb.90.081112},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 8,
volume = 90,
place = {United States},
year = {2014},
month = {8}
}

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Cited by: 39 works
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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

Projector augmented-wave method
journal, December 1994


Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


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

Colloquium: Topological insulators
journal, November 2010


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


From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


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

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