Half-Heusler Compounds as a New Class of Three-Dimensional Topological Insulators
Half-Heusler Compounds as a New Class of Three-Dimensional Topological Insulators
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 …