Eletronic and phonomic states of the Holstein-Hubbard dimer of variable length
Autor(a) principal: | |
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Data de Publicação: | 1998 |
Outros Autores: | , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UFRGS |
Texto Completo: | http://hdl.handle.net/10183/104004 |
Resumo: | We consider a model Hamiltonian for a dimer of length a including all the electronic one- and two-body terms consistent with a single orbital per site, a free Einstein phonon term for a frequency V, and an electronphonon coupling g0 of the Holstein type. The bare electronic interaction parameters were evaluated in terms of Wannier functions built from Gaussian atomic orbitals. An effective polaronic Hamiltonian was obtained by an unrestricted displaced-oscillator transformation, followed by evaluation of the phononic terms over a squeezedphonon variational wave function. For the cases of quarter-filled and half-filled orbitals, and over a range of dimer length values, the ground state for given g0 and Ω was identified by simultaneously and independently optimizing the orbital shape, the phonon displacement, and the squeezing effect strength. As a varies, we generally find discontinuous changes of both electronic and phononic states, accompanied by an appreciable renormalization of the effective electronic interactions across the transitions, due to the equilibrium shape of the wave functions strongly depending on the phononic regime and on the type of ground state. |
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Acquarone, C.Iglesias, Jose RobertoGusmao, Miguel Angelo CavalheiroNoce, A.Romano, Alfonso2014-10-01T02:10:22Z19981098-0121http://hdl.handle.net/10183/104004000124312We consider a model Hamiltonian for a dimer of length a including all the electronic one- and two-body terms consistent with a single orbital per site, a free Einstein phonon term for a frequency V, and an electronphonon coupling g0 of the Holstein type. The bare electronic interaction parameters were evaluated in terms of Wannier functions built from Gaussian atomic orbitals. An effective polaronic Hamiltonian was obtained by an unrestricted displaced-oscillator transformation, followed by evaluation of the phononic terms over a squeezedphonon variational wave function. For the cases of quarter-filled and half-filled orbitals, and over a range of dimer length values, the ground state for given g0 and Ω was identified by simultaneously and independently optimizing the orbital shape, the phonon displacement, and the squeezing effect strength. As a varies, we generally find discontinuous changes of both electronic and phononic states, accompanied by an appreciable renormalization of the effective electronic interactions across the transitions, due to the equilibrium shape of the wave functions strongly depending on the phononic regime and on the type of ground state.application/pdfengPhysical review. B, Condensed matter and materials physics. Woodbury. Vol. 58, no. 12 (Sept. 1998), p. 7626-7636Fisica teorica da materia condensadaModelo de hubbardInteracao electron-fononSistemas hamiltonianosEletronic and phonomic states of the Holstein-Hubbard dimer of variable lengthEstrangeiroinfo:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da UFRGSinstname:Universidade Federal do Rio Grande do Sul (UFRGS)instacron:UFRGSORIGINAL000124312.pdf000124312.pdfTexto completo (inglês)application/pdf175476http://www.lume.ufrgs.br/bitstream/10183/104004/1/000124312.pdf0daae85b0a779c0474c17637c8e78127MD51TEXT000124312.pdf.txt000124312.pdf.txtExtracted Texttext/plain37110http://www.lume.ufrgs.br/bitstream/10183/104004/2/000124312.pdf.txta8059dffb23007f487f2390fdea50f55MD52THUMBNAIL000124312.pdf.jpg000124312.pdf.jpgGenerated Thumbnailimage/jpeg2020http://www.lume.ufrgs.br/bitstream/10183/104004/3/000124312.pdf.jpg1004c8598a69c94e8bf997722ec0d5fcMD5310183/1040042018-10-08 08:43:57.854oai:www.lume.ufrgs.br:10183/104004Repositório de PublicaçõesPUBhttps://lume.ufrgs.br/oai/requestopendoar:2018-10-08T11:43:57Repositório Institucional da UFRGS - Universidade Federal do Rio Grande do Sul (UFRGS)false |
dc.title.pt_BR.fl_str_mv |
Eletronic and phonomic states of the Holstein-Hubbard dimer of variable length |
title |
Eletronic and phonomic states of the Holstein-Hubbard dimer of variable length |
spellingShingle |
Eletronic and phonomic states of the Holstein-Hubbard dimer of variable length Acquarone, C. Fisica teorica da materia condensada Modelo de hubbard Interacao electron-fonon Sistemas hamiltonianos |
title_short |
Eletronic and phonomic states of the Holstein-Hubbard dimer of variable length |
title_full |
Eletronic and phonomic states of the Holstein-Hubbard dimer of variable length |
title_fullStr |
Eletronic and phonomic states of the Holstein-Hubbard dimer of variable length |
title_full_unstemmed |
Eletronic and phonomic states of the Holstein-Hubbard dimer of variable length |
title_sort |
Eletronic and phonomic states of the Holstein-Hubbard dimer of variable length |
author |
Acquarone, C. |
author_facet |
Acquarone, C. Iglesias, Jose Roberto Gusmao, Miguel Angelo Cavalheiro Noce, A. Romano, Alfonso |
author_role |
author |
author2 |
Iglesias, Jose Roberto Gusmao, Miguel Angelo Cavalheiro Noce, A. Romano, Alfonso |
author2_role |
author author author author |
dc.contributor.author.fl_str_mv |
Acquarone, C. Iglesias, Jose Roberto Gusmao, Miguel Angelo Cavalheiro Noce, A. Romano, Alfonso |
dc.subject.por.fl_str_mv |
Fisica teorica da materia condensada Modelo de hubbard Interacao electron-fonon Sistemas hamiltonianos |
topic |
Fisica teorica da materia condensada Modelo de hubbard Interacao electron-fonon Sistemas hamiltonianos |
description |
We consider a model Hamiltonian for a dimer of length a including all the electronic one- and two-body terms consistent with a single orbital per site, a free Einstein phonon term for a frequency V, and an electronphonon coupling g0 of the Holstein type. The bare electronic interaction parameters were evaluated in terms of Wannier functions built from Gaussian atomic orbitals. An effective polaronic Hamiltonian was obtained by an unrestricted displaced-oscillator transformation, followed by evaluation of the phononic terms over a squeezedphonon variational wave function. For the cases of quarter-filled and half-filled orbitals, and over a range of dimer length values, the ground state for given g0 and Ω was identified by simultaneously and independently optimizing the orbital shape, the phonon displacement, and the squeezing effect strength. As a varies, we generally find discontinuous changes of both electronic and phononic states, accompanied by an appreciable renormalization of the effective electronic interactions across the transitions, due to the equilibrium shape of the wave functions strongly depending on the phononic regime and on the type of ground state. |
publishDate |
1998 |
dc.date.issued.fl_str_mv |
1998 |
dc.date.accessioned.fl_str_mv |
2014-10-01T02:10:22Z |
dc.type.driver.fl_str_mv |
Estrangeiro info:eu-repo/semantics/article |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
format |
article |
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publishedVersion |
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http://hdl.handle.net/10183/104004 |
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1098-0121 |
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000124312 |
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1098-0121 000124312 |
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http://hdl.handle.net/10183/104004 |
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eng |
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eng |
dc.relation.ispartof.pt_BR.fl_str_mv |
Physical review. B, Condensed matter and materials physics. Woodbury. Vol. 58, no. 12 (Sept. 1998), p. 7626-7636 |
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