Dynamical cluster approximation study of electron localization in the extended Hubbard model

Hanna Terletska, Sergei Iskakov, Thomas Maier, Emanuel Gull

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Abstract

We perform a detailed study of the phase transitions and mechanisms of electron localization in the extended Hubbard model using the dynamical cluster approximation on a 2×2 cluster. We explore the interplay of charge order and Mott physics. We find that a nearest-neighbor Coulomb interaction V causes "screening"effects close to the Mott phase transition, pushing the phase boundary to larger values of U. We also demonstrate the different effects of V on correlations in metallic and insulating regimes, and document the different correlation aspects of charge order and Mott states.

Original languageEnglish
Article number085129
JournalPhysical Review B
Volume104
Issue number8
DOIs
StatePublished - Aug 15 2021

Funding

This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation Grant No. ACI-1548562, through allocation DMR130036. The analysis of the results was partially conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. H.T. is supported by the National Science Foundation under Grant No. DMR-1944974. E.G. acknowledges National Science Foundation Grant No. DMR-2001465. S.I. is sponsored by the Simons Foundation via the Simons Collaboration on the Many-Electron Problem.

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