Theoretical search for half-heusler topological insulators

Lin SY, Chen M, Yang XB, Zhao YJ, Wu SC, Felser C, Yan B (2015)

Publication Type: Journal article

Publication year: 2015

Journal

Physical Review B - Condensed Matter and Materials Physics American Physical Society (APS)

Book Volume: 91

Article Number: 094107

Journal Issue: 9

DOI: 10.1103/PhysRevB.91.094107

Abstract

We have performed ab initio band-structure calculations on more than 2000 half-Heusler compounds in order to search for new candidates for topological insulators. Herein, LiAuS and NaAuS are found to be the strongest topological insulators with the bulk band gaps of 0.20 and 0.19 eV, respectively, different from the zero band-gap feature reported in other Heusler topological insulators. Due to the inversion asymmetry of the Heusler structure, their topological surface states on the top and bottom surfaces exhibit p-type and n-type carriers, respectively. Thus, these materials may serve as an ideal platform for the realization of topological magnetoelectric effects as polar topological insulators. Moreover, these topological surface states exhibit the right-hand spin texture in the upper Dirac cone, which distinguishes them from currently known topological insulator materials. Their topological nontrivial character remains robust against in-plane strains, which makes them suitable for epitaxial growth of films.

Involved external institutions

South China University of Technology (SCUT) / 华南理工大学 CN China (CN) Max-Planck-Institut für Chemische Physik fester Stoffe (MPI CPfS) / Max Planck Institute for Chemical Physics of Solids DE Germany (DE)

How to cite

APA:

Lin, S.-Y., Chen, M., Yang, X.-B., Zhao, Y.-J., Wu, S.-C., Felser, C., & Yan, B. (2015). Theoretical search for half-heusler topological insulators. Physical Review B - Condensed Matter and Materials Physics, 91(9). https://doi.org/10.1103/PhysRevB.91.094107

MLA:

Lin, Shi-Yuan, et al. "Theoretical search for half-heusler topological insulators." Physical Review B - Condensed Matter and Materials Physics 91.9 (2015).

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