sd(2) Graphene: Kagome band in a hexagonal lattice

Phys Rev Lett. 2014 Dec 5;113(23):236802. doi: 10.1103/PhysRevLett.113.236802. Epub 2014 Dec 2.

Abstract

Graphene, made of sp^{2} hybridized carbon, is characterized with a Dirac band, representative of its underlying 2D hexagonal lattice. The fundamental understanding of graphene has recently spurred a surge in the search for 2D topological quantum phases in solid-state materials. Here, we propose a new form of 2D material, consisting of sd^{2} hybridized transition metal atoms in hexagonal lattice, called sd^{2} "graphene." The sd^{2} graphene is characterized by bond-centered electronic hopping, which transforms the apparent atomic hexagonal lattice into the physics of a kagome lattice that may exhibit a wide range of topological quantum phases. Based on first-principles calculations, room-temperature quantum anomalous Hall states with an energy gap of ∼0.1 eV are demonstrated for one such lattice made of W, which can be epitaxially grown on a semiconductor surface of 1/3 monolayer Cl-covered Si(111), with high thermodynamic and kinetic stability.