Impact of clustering of substitutional impurities on quasiparticle lifetimes and localization

Abstract

Motivated by the observation and prediction of clustering behavior for impurities substituted into the host lattice of a real material, and the dramatic impact this can have on electronic properties, we develop a simple approach to describe such an effect via the electron self-energy. We employ a disorder averaged T-matrix expansion taken to second order, which we modify to include a clustering probability parameter. This approach circumvents the need for specific cluster probability distributions, simplifying greatly the analysis of clustered impurities. To gain analytical insights, we study a nearest-neighbor square lattice tight-binding Hamiltonian with clustered impurity substitutions to investigate clustering of off-diagonal hopping impurities. We find that our T-matrix approach is in excellent agreement with exact numerical results from a tight-binding computation performed with the KWANT package. We observe a variety of interesting impurity clustering-induced effects in the self-energy such as the suppression of quasi-particle lifetimes at certain momenta and an increase in localization, as indicated by the inverse participation ratio. The KWANT results are reproduced in our modified T-matrix approach. In addition, our method allows for a full analytical treatment of clustering effects which can aid in physical insight.