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http://hdl.handle.net/2445/10841
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DC Field | Value | Language |
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dc.contributor.author | Reinhardt, P. | cat |
dc.contributor.author | Habas, M. P. | cat |
dc.contributor.author | Dovesi, R. | cat |
dc.contributor.author | Moreira, Ibério de Pinho Ribeiro | cat |
dc.contributor.author | Illas i Riera, Francesc | cat |
dc.date.accessioned | 2010-01-22T13:53:50Z | - |
dc.date.available | 2010-01-22T13:53:50Z | - |
dc.date.issued | 1999 | cat |
dc.identifier.issn | 0163-1829 | cat |
dc.identifier.uri | http://hdl.handle.net/2445/10841 | - |
dc.description.abstract | CuF2 is known to be an antiferromagnetic compound with a weak ferromagnetism due to the anisotropy of its monoclinic unit cell (Dzialoshinsky-Moriya mechanism). We investigate the magnetic ordering of this compound by means of ab initio periodic unrestricted Hartree-Fock calculations and by cluster calculations which employ state-of-the-art configuration interaction expansions and modern density functional theory techniques. The combined use of periodic and cluster models permits us to firmly establish that the antiferromagnetic order arises from the coupling of one-dimensional subunits which themselves exhibit a very small ferromagnetic coupling between Cu neighbor cations. This magnetic order could be anticipated from the close correspondence between CuF2 and rutile crystal structures. | eng |
dc.format.extent | 8 p. | cat |
dc.format.mimetype | application/pdf | eng |
dc.language.iso | eng | eng |
dc.publisher | The American Physical Society | cat |
dc.relation.isformatof | Reproducció digital del document publicat en format paper, proporcionada per PROLA i http://dx.doi.org/10.1103/PhysRevB.59.1016 | cat |
dc.relation.ispartof | Physical Review B, 1999, vol. 59, núm. 2, p. 1016-1023 | cat |
dc.relation.uri | http://dx.doi.org/10.1103/PhysRevB.59.1016 | - |
dc.rights | (c) The American Physical Society, 1999 | cat |
dc.source | Articles publicats en revistes (Ciència dels Materials i Química Física) | - |
dc.subject.classification | Propietats magnètiques | cat |
dc.subject.classification | Estructura electrònica | cat |
dc.subject.classification | Superconductivitat | cat |
dc.subject.other | Magnetic properties | eng |
dc.subject.other | Electronic structure | eng |
dc.subject.other | Superconductivity | eng |
dc.title | Magnetic coupling in the weac ferromagnet CuF2 | eng |
dc.type | info:eu-repo/semantics/article | eng |
dc.type | info:eu-repo/semantics/publishedVersion | - |
dc.identifier.idgrec | 146071 | cat |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Ciència dels Materials i Química Física) |
Files in This Item:
File | Description | Size | Format | |
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146071.pdf | 147.76 kB | Adobe PDF | View/Open |
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