Investigation of MoTe nanowires in honeycomb and kagome lattices: Dirac cones and flat bands.

Abstract

In this work, we focus on electronic properties of transition-metal monochalcogenide nanowires. Specifically, we apply first-principles calculations to investigate the emergence of Dirac states and flat bands when MoTe nanowires are used as building blocks in kagome and honeycomb lattices. We show that, in spite of being non-covalent, the in-plane interactions of the nanowires are able to reproduce the idiosyncracies associated with these lattices. We describe the contributions of Molybdeniumd-orbitals and Telluriump-orbitals to the electronic states, and we discuss the pivotal role of spin-orbit coupling and of the interwire distances to the phenomenology.