Journal
PHYSICAL REVIEW LETTERS
Volume 105, Issue 9, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.105.096404
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Funding
- Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy
- NSF of China [10674163, 10974231]
- MOST of China [2006CB921300, 2007CB925000]
- Welch Foundation [F-1255]
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [0906025] Funding Source: National Science Foundation
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Using first-principles calculations within density functional theory, we explore the feasibility of converting ternary half-Heusler compounds into a new class of three-dimensional topological insulators (3DTI). We demonstrate that the electronic structure of unstrained LaPtBi as a prototype system exhibits a distinct band-inversion feature. The 3DTI phase is realized by applying a uniaxial strain along the [001] direction, which opens a band gap while preserving the inverted band order. A definitive proof of the strained LaPtBi as a 3DTI is provided by directly calculating the topological Z(2) 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.
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