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Article: Strong-coupling solver for the quantum impurity model

TitleStrong-coupling solver for the quantum impurity model
Authors
KeywordsPhysics
Issue Date2005
PublisherAmerican Physical Society. The Journal's web site is located at http://prb.aps.org/
Citation
Physical Review B (Condensed Matter and Materials Physics), 2005, v. 72 n. 4, p. 045111:1-6 How to Cite?
AbstractWe propose a fast impurity solver for the general quantum impurity model based on the perturbation theory around the atomic limit, which can be used in combination with the local density approximation (LDA) and the dynamical mean-field theory (DMFT). We benchmark the solver in the two-band Hubbard model within DMFT against quantum Monte Carlo (QMC) and numerical renormalization-group (NRG) results. We find that the solver works very well in the paramagnetic Mott insulator phase. We also apply this impurity solver to the DMFT study of the antiferromagnetic phase transition in the unfrustrated Bethe lattice. The Neel temperature obtained by the fast impurity solver agrees very well with the QMC results in the large Hubbard U limit. The method is a promising tool to be used in combination with the LDA+DMFT to study Mott insulators starting from first principles.
Persistent Identifierhttp://hdl.handle.net/10722/43164
ISSN
2014 Impact Factor: 3.736
2015 SCImago Journal Rankings: 1.933
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorDai, Xen_HK
dc.contributor.authorHaule, Ken_HK
dc.contributor.authorKotliar, Gen_HK
dc.date.accessioned2007-03-23T04:40:28Z-
dc.date.available2007-03-23T04:40:28Z-
dc.date.issued2005en_HK
dc.identifier.citationPhysical Review B (Condensed Matter and Materials Physics), 2005, v. 72 n. 4, p. 045111:1-6en_HK
dc.identifier.issn1098-0121en_HK
dc.identifier.urihttp://hdl.handle.net/10722/43164-
dc.description.abstractWe propose a fast impurity solver for the general quantum impurity model based on the perturbation theory around the atomic limit, which can be used in combination with the local density approximation (LDA) and the dynamical mean-field theory (DMFT). We benchmark the solver in the two-band Hubbard model within DMFT against quantum Monte Carlo (QMC) and numerical renormalization-group (NRG) results. We find that the solver works very well in the paramagnetic Mott insulator phase. We also apply this impurity solver to the DMFT study of the antiferromagnetic phase transition in the unfrustrated Bethe lattice. The Neel temperature obtained by the fast impurity solver agrees very well with the QMC results in the large Hubbard U limit. The method is a promising tool to be used in combination with the LDA+DMFT to study Mott insulators starting from first principles.en_HK
dc.format.extent211044 bytes-
dc.format.extent25088 bytes-
dc.format.mimetypeapplication/pdf-
dc.format.mimetypeapplication/msword-
dc.languageengen_HK
dc.publisherAmerican Physical Society. The Journal's web site is located at http://prb.aps.org/en_HK
dc.rightsCreative Commons: Attribution 3.0 Hong Kong License-
dc.rightsPhysical Review B (Condensed Matter and Materials Physics). Copyright © American Physical Society.en_HK
dc.subjectPhysicsen_HK
dc.titleStrong-coupling solver for the quantum impurity modelen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=1098-0121&volume=72&issue=4&spage=045111:1&epage=6&date=2005&atitle=Strong-coupling+solver+for+the+quantum+impurity+modelen_HK
dc.description.naturepublished_or_final_versionen_HK
dc.identifier.doi10.1103/PhysRevB.72.045111en_HK
dc.identifier.scopuseid_2-s2.0-33749233468-
dc.identifier.hkuros111970-
dc.identifier.isiWOS:000230890300027-

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