A tight binding and [Formula: see text] study of monolayer stanene

Sci Rep. 2017 Sep 21;7(1):12069. doi: 10.1038/s41598-017-12281-y.

Abstract

Stanene is a single layer of tin atoms which has been discovered as an emerging material for quantum spin Hall related applications. In this paper, we present an accurate tight-binding model for single layer stanene near the Fermi level. We parameterized the onsite and hopping energies for the nearest, second nearest, and third nearest neighbor tight-binding method, both without and with spin orbital coupling. We derived the analytical solution for the [Formula: see text]and [Formula: see text] points and numerically investigated the buckling effect on the material electronic properties. In these points of the reciprocal space, we also discuss a corresponding [Formula: see text] description, obtaining the value of the [Formula: see text] parameters both analytically from the tight-binding ones, and numerically, fitting the ab-initio dispersion relations. Our models provide a foundation for large scale atomistic device transport calculations.

Publication types

  • Research Support, Non-U.S. Gov't