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DC Field | Value | Language |
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dc.contributor.author | Jeschke, Harald O. | - |
dc.contributor.author | De Souza, Mariano | - |
dc.contributor.author | Valentí, Roser | - |
dc.contributor.author | Manna, Rudra Sekhar | - |
dc.contributor.author | Lang, Michael | - |
dc.contributor.author | Schlueter, John A. | - |
dc.date.accessioned | 2014-05-27T11:26:22Z | - |
dc.date.accessioned | 2016-10-25T18:36:33Z | - |
dc.date.available | 2014-05-27T11:26:22Z | - |
dc.date.available | 2016-10-25T18:36:33Z | - |
dc.date.issued | 2012-01-27 | - |
dc.identifier | http://dx.doi.org/10.1103/PhysRevB.85.035125 | - |
dc.identifier.citation | Physical Review B - Condensed Matter and Materials Physics, v. 85, n. 3, 2012. | - |
dc.identifier.issn | 1098-0121 | - |
dc.identifier.issn | 1550-235X | - |
dc.identifier.uri | http://hdl.handle.net/11449/73172 | - |
dc.identifier.uri | http://acervodigital.unesp.br/handle/11449/73172 | - |
dc.description.abstract | We investigate the effect that the temperature dependence of the crystal structure of a two-dimensional organic charge-transfer salt has on the low-energy Hamiltonian representation of the electronic structure. For that, we determine the crystal structure of κ-(BEDT-TTF) 2Cu 2(CN) 3 for a series of temperatures between T=5 and 300 K by single crystal X-ray diffraction and analyze the evolution of the electronic structure with temperature by using density functional theory and tight binding methods. We find a considerable temperature dependence of the corresponding triangular lattice Hubbard Hamiltonian parameters. We conclude that even in the absence of a change of symmetry, the temperature dependence of quantities like frustration and interaction strength can be significant and should be taken into account. © 2012 American Physical Society. | en |
dc.language.iso | eng | - |
dc.source | Scopus | - |
dc.title | Temperature dependence of structural and electronic properties of the spin-liquid candidate κ-(BEDT-TTF) 2Cu 2(CN) 3 | en |
dc.type | outro | - |
dc.contributor.institution | Goethe-Universität Frankfurt Am Main | - |
dc.contributor.institution | Argonne National Laboratory | - |
dc.contributor.institution | Universidade Estadual Paulista (UNESP) | - |
dc.description.affiliation | Institut für Theoretische Physik Goethe-Universität Frankfurt Am Main, D-60438 Frankfurt am Main | - |
dc.description.affiliation | Physikalisches Institut Goethe-Universität Frankfurt Am Main, D-60438 Frankfurt am Main | - |
dc.description.affiliation | Materials Science Division Argonne National Laboratory, Argonne, IL 60439 | - |
dc.description.affiliation | Departamento de Física IGCE Unesp - Universidade Estadual Paulista, Caixa Postal 178, CEP 13500-970 Rio Claro-SP | - |
dc.description.affiliationUnesp | Departamento de Física IGCE Unesp - Universidade Estadual Paulista, Caixa Postal 178, CEP 13500-970 Rio Claro-SP | - |
dc.identifier.doi | 10.1103/PhysRevB.85.035125 | - |
dc.rights.accessRights | Acesso restrito | - |
dc.identifier.file | 2-s2.0-84856491144.pdf | - |
dc.relation.ispartof | Physical Review B: Condensed Matter and Materials Physics | - |
dc.identifier.scopus | 2-s2.0-84856491144 | - |
Appears in Collections: | Artigos, TCCs, Teses e Dissertações da Unesp |
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