Locally self-consistent embedding approach for disordered electronic systems

Yi Zhang, Hanna Terletska, Ka Ming Tam, Yang Wang, Markus Eisenbach, Liviu Chioncel, Mark Jarrell

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

We present an embedding scheme for the locally self-consistent method to study disordered electron systems. We test this method in a tight-binding basis and apply it to the single band Anderson model. The local interaction zone is used to efficiently compute the local Green's function of a supercell embedded into a local typical medium. We find a quick convergence as the size of the local interaction zone which reduces the computational costs as expected. This method captures the Anderson localization transition and accurately predicts the critical disorder strength. The present work opens the path towards the development of a typical medium embedding scheme for the O(N) multiple scattering methods.

Original languageEnglish
Article number054205
JournalPhysical Review B
Volume100
Issue number5
DOIs
StatePublished - Aug 28 2019

Funding

This paper is based upon work supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Award No. DE-SC0017861. This work used the high performance computational resources provided by the Louisiana Optical Network Initiative, and HPC@LSU computing. The work of M.E. has been supported by US Department of Energy, Office of Science, Basic Energy Sciences, Material Sciences and Engineering Division and it used resources of the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract No. DE-AC05-00OR22725. L.C. gratefully acknowledges the financial support offered by the Augsburg Center for Innovative Technologies, and by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation), Project No. 107745057-TRR 80/F6.

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