Comment on: Locally self-consistent embedding approach for disordered electronic systems

preprint2020arXivOpen access

Abstract

We comment on article by Yi Zhang , Hanna Terletska, Ka-Ming Tam, Yang Wang, Markus Eisenbach, Liviu Chioncel, and Mark Jarrell [Phys. Rev. B {\bf 100}, 054205 (2019)]\cite{Zhang} in which to study substitution disordered systems, they presented an embedding scheme for the locally self-consistent method. Here we show that their methods is a truncated case of our super-cell approximation, achieved by neglecting super-cell wave vectors dependence on self-energy Σsc(Kn,E)Σ_{sc}({\bf K}_{n},E) and replacing them by a local on-site self-energy, Σsc(Kn,E)=Σsc(L,L,E)Σ_{sc}({\bf K}_{n},E)=Σ_{sc}(L,L,E) in our articles\cite{Moradian01, Moradian02, Moradian03}. Also their real and k-space self-energies in the limit of the number of super-cell sites, NcN_{c}, approaching the number of lattice sites, N, do not recover exact self-energies Σ(l,l′,E)Σ(l, l', E) and Σ(k,E)Σ({\bf k}, E). For highlighting advantages of our methods with respect to other approximations such as dynamical cluster approximation (DCA)\cite{Jarrell} in capturing electron localization, we apply our real space super-cell approximation (SCA), and super-cell local self-energy approximation (SCLSA) to one and two dimensional substitution disorder alloy systems. Our electron localization probability calculations for these systems determine non zero values that indicate electrons localization.

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