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  Pressure-induced topological insulator in NaBaBi with right-handed surface spin texture

Sun, Y., Wang, Q.-Z., Wu, S.-C., Felser, C., Liu, C.-X., & Yan, B. (2016). Pressure-induced topological insulator in NaBaBi with right-handed surface spin texture. Physical Review B, 93(20): 205303, pp. 1-9. doi:10.1103/PhysRevB.93.205303.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002A-E0A8-3 Version Permalink: http://hdl.handle.net/21.11116/0000-0001-0007-7
Genre: Journal Article

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 Creators:
Sun, Yan1, Author              
Wang, Qing-Ze2, Author
Wu, Shu-Chun1, Author              
Felser, Claudia3, Author              
Liu, Chao-Xing2, Author
Yan, Binghai4, Author              
Affiliations:
1Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863425              
2External Organizations, ou_persistent22              
3Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863429              
4Binghai Yan, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863427              

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 Abstract: Starting from the three-dimensional Dirac semimetal in Na3Bi, we found a topological insulator (TI) in the known compound of NaBaBi by extra pressure. The TI of NaBaBi can be viewed as the distorted version of Na3Bi with breaking inversion symmetry. When the exchange-correlation energy is considered in generalized gradient approximation (GGA), the TI phase has a band inversion between the Bi-p and Na-s orbitals. Since GGA often overestimates the band inversion, we also performed more accurate calculations by using hybrid functional theory (HSE). From HSE calculations we found that NaBaBi exhibits as a trivial insulator at zero pressure, and the other TI phase with p-d inversion can be achieved by pressure. Though both of two TI phases have Dirac-cone-type surface states, they have opposite spin textures. In the upper cone, a lefthanded spin texture exists for the s-p inverted phase (similar to a common TI, e.g., Bi2Se3), whereas a righthanded spin texture appears for the p-d inverted phase. This work presents a prototype model of a TI exhibits righthanded spin texture.

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Language(s): eng - English
 Dates: 2016-01-082016-01-08
 Publication Status: Published in print
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Title: Physical Review B
  Abbreviation : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 93 (20) Sequence Number: 205303 Start / End Page: 1 - 9 Identifier: ISSN: 1098-0121
CoNE: /journals/resource/954925225008