Three-Dimensional Topological Insulators: The Case of Inverse Heusler Compound Lu₂FePb

Abstract

Using the full-potential linerized augumented plane-wave method based on the density function theory, we theoretically predict the Heusler compound Lu2FePb is a new three-dimensional topological insulator system. We also point out that the spin-orbit coupling is not the leading cause but an account can add further fuel to the band inversion.