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Abstract:
We investigate a new class of ternary materials such as LiAuSe and KHgSb
with a honeycomb structure in Au-Se and Hg-Sb layers. We demonstrate the
band inversion in these materials similar to HgTe, which is a strong
precondition for existence of the topological surface states. In
contrast with graphene, these materials exhibit strong spin-orbit
coupling and a small direct band gap at the Gamma point. Since these
materials are centrosymmetric, it is straightforward to determine the
parity of their wave functions, and hence their topological character.
Surprisingly, the compound with strong spin-orbit coupling (KHgSb) is
trivial, whereas LiAuSe is found to be a topological insulator.
