Half-Heusler Compounds as a New Class of Three-Dimensional Topological Insulators
- ORNL
- Chinese Academy of Sciences
- University of Texas, Austin
Using rst-principles calculations within density functional theory, we explore the feasibility of converting ternary half-Heusler compounds into a new class of three-dimensional topological insu- lators (3DTI). We demonstrate that the electronic structure of unstrained LaPtBi as a prototype system exhibits distinct band-inversion feature. The 3DTI phase is realized by applying a uni- axial strain along the [001] direction, which opens a bandgap while preserving the inverted band order. A denitive proof of the strained LaPtBi as a 3DTI is provided by directly calculating the topological Z2 invariants in systems without inversion symmetry. We discuss the implications of the present study to other half-Heusler compounds as 3DTI, which, together with the magnetic and superconducting properties of these materials, may provide a rich platform for novel quantum phenomena.
- Research Organization:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Organization:
- USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC)
- DOE Contract Number:
- DE-AC05-00OR22725
- OSTI ID:
- 988222
- Journal Information:
- Physical Review Letters, Vol. 105, Issue 9; ISSN 0031-9007
- Country of Publication:
- United States
- Language:
- English
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