New Real space method for calculation of physical properties of a disordered system

TL;DR

This paper presents a novel real space super cell approximation method for calculating physical properties of disordered systems, accommodating both on-site energy and hopping integral randomness, extending previous NLCPA approaches.

Contribution

The paper introduces a general real space super cell method for disordered systems, unifying and extending the NLCPA to include hopping disorder.

Findings

Method is general and flexible for different types of disorder.

Equivalent to NLCPA in the case of on-site energy disorder.

Provides a new tool for studying disordered electronic systems.

Abstract

We introduce a new real space super cell approximation method for treating the electronic states of disordered systems. This method is general and allows both randomness in the on-site energies and in the hopping integrals. In the special case of randomness in the on-site energies only, this method is equivalent to the Non Local Coherent Potential Approximation (NLCPA) derived previously.