Emergence of topological and topological crystalline phases in TlBiS2 and TlSbS2.

Citation data:

Scientific reports, ISSN: 2045-2322, Vol: 5, Issue: 1, Page: 8379

Publication Year:
2015
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Citations 4
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Repository URL:
http://hdl.handle.net/10754/346684
PMID:
25669914
DOI:
10.1038/srep08379
PMCID:
PMC4323645
Author(s):
Zhang, Qingyun; Cheng, Yingchun; Schwingenschlögl, Udo
Publisher(s):
Springer Nature; Nature Publishing Group
Tags:
Multidisciplinary
article description
Using first-principles calculations, we investigate the band structure evolution and topological phase transitions in TlBiS2 and TlSbS2 under hydrostatic pressure as well as uniaxial and biaxial strain. The phase transitions are identified by parity analysis and by calculating the surface states. Zero, one, and four Dirac cones are found for the (111) surfaces of both TlBiS2 and TlSbS2 when the pressure grows, which confirms trivial-nontrivial-trivial phase transitions. The Dirac cones at the points are anisotropic with large out-of-plane component. TlBiS2 shows normal, topological, and topological crystalline insulator phases under hydrostatic pressure, thus being the first compound to exhibit a phase transition from a topological to a topological crystalline insulator.