Locally self-consistent embedding approach for disordered electronic systems

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

doi:10.1103/PhysRevB.100.054205

Title: Locally self-consistent embedding approach for disordered electronic systems

Journal Article · Wed Aug 28 00:00:00 EDT 2019 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.100.054205· OSTI ID:1560451

^[1]; Terletska, Hanna ^[2]; Tam, Ka-Ming ^[1]; Wang, Yang ^[3];

^[4]; Chioncel, Liviu ^[5]; Jarrell, Mark ^[1]

Louisiana State Univ., Baton Rouge, LA (United States)
Middle Tennessee State Univ., Murfreesboro, TN (United States)
Carnegie Mellon Univ., Pittsburgh, PA (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. of Augsburg (Germany)

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.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Louisiana State Univ., Baton Rouge, LA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; German Research Foundation (DFG); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725; SC0017861

OSTI ID:: 1560451

Alternate ID(s):: OSTI ID: 1559087; OSTI ID: 1658617

Journal Information:: Physical Review B, Vol. 100, Issue 5; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 2 works

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