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

Sun Y, Wang QZ, Wu SC, Felser C, Liu CX, Yan B (2016)

Publication Type: Journal article

Publication year: 2016

Journal

Physical Review B American Physical Society

Book Volume: 93

Article Number: 205303

Journal Issue: 20

DOI: 10.1103/PhysRevB.93.205303

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.

Involved external institutions

Max-Planck-Institut für Chemische Physik fester Stoffe (MPI CPfS) / Max Planck Institute for Chemical Physics of Solids DE Germany (DE) Pennsylvania State University (Penn State) US United States (USA) (US)

How to cite

APA:

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). https://doi.org/10.1103/PhysRevB.93.205303

MLA:

Sun, Yan, et al. "Pressure-induced topological insulator in NaBaBi with right-handed surface spin texture." Physical Review B 93.20 (2016).

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