Local character of magnetic coupling in ionic solids

Magnetic interactions in ionic solids are studied using parameter-free methods designed to provide accurate energy differences associated with quantum states defining the Heisenberg constant J. For a series of ionic solids including KNiF3, K2NiF4, KCuF3, K2CuF4, and high- Tc parent compound La2CuO4,...

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Detalles Bibliográficos
Autores: Moreira, Ibério de Pinho Ribeiro, Illas i Riera, Francesc, Calzado, C. J., Sanz, J. F., Malrieu, J. P., Ben Amor, N., Maynau, D.
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:1999
País:España
Institución:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositorio:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:2445/10840
Acceso en línea:https://hdl.handle.net/2445/10840
Access Level:acceso abierto
Palabra clave:Materials magnètics
Propietats magnètiques
Física de l'estat sòlid
Magnetic properties
Solid state physics
Magnetic materials
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spelling Local character of magnetic coupling in ionic solidsMoreira, Ibério de Pinho RibeiroIllas i Riera, FrancescCalzado, C. J.Sanz, J. F.Malrieu, J. P.Ben Amor, N.Maynau, D.Materials magnèticsPropietats magnètiquesFísica de l'estat sòlidMagnetic propertiesSolid state physicsMagnetic materialsMagnetic interactions in ionic solids are studied using parameter-free methods designed to provide accurate energy differences associated with quantum states defining the Heisenberg constant J. For a series of ionic solids including KNiF3, K2NiF4, KCuF3, K2CuF4, and high- Tc parent compound La2CuO4, the J experimental value is quantitatively reproduced. This result has fundamental implications because J values have been calculated from a finite cluster model whereas experiments refer to infinite solids. The present study permits us to firmly establish that in these wide-gap insulators, J is determined from strongly local electronic interactions involving two magnetic centers only thus providing an ab initio support to commonly used model Hamiltonians.The American Physical Society201020101999info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersion4 p.application/pdfhttps://hdl.handle.net/2445/10840Articles publicats en revistes (Ciència dels Materials i Química Física)reponame:Recercat. Dipósit de la Recerca de Catalunyainstname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)InglésReproducció digital del document publicat en format paper, proporcionada per PROLA i http://dx.doi.org/10.1103/PhysRevB.59.R6593Physical Review B, 1999, vol. 59, núm. 10, p. R6593-R6596http://dx.doi.org/10.1103/PhysRevB.59.R6593(c) The American Physical Society, 1999info:eu-repo/semantics/openAccessoai:recercat.cat:2445/108402026-05-29T05:05:01Z
dc.title.none.fl_str_mv Local character of magnetic coupling in ionic solids
title Local character of magnetic coupling in ionic solids
spellingShingle Local character of magnetic coupling in ionic solids
Moreira, Ibério de Pinho Ribeiro
Materials magnètics
Propietats magnètiques
Física de l'estat sòlid
Magnetic properties
Solid state physics
Magnetic materials
title_short Local character of magnetic coupling in ionic solids
title_full Local character of magnetic coupling in ionic solids
title_fullStr Local character of magnetic coupling in ionic solids
title_full_unstemmed Local character of magnetic coupling in ionic solids
title_sort Local character of magnetic coupling in ionic solids
dc.creator.none.fl_str_mv Moreira, Ibério de Pinho Ribeiro
Illas i Riera, Francesc
Calzado, C. J.
Sanz, J. F.
Malrieu, J. P.
Ben Amor, N.
Maynau, D.
author Moreira, Ibério de Pinho Ribeiro
author_facet Moreira, Ibério de Pinho Ribeiro
Illas i Riera, Francesc
Calzado, C. J.
Sanz, J. F.
Malrieu, J. P.
Ben Amor, N.
Maynau, D.
author_role author
author2 Illas i Riera, Francesc
Calzado, C. J.
Sanz, J. F.
Malrieu, J. P.
Ben Amor, N.
Maynau, D.
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv Materials magnètics
Propietats magnètiques
Física de l'estat sòlid
Magnetic properties
Solid state physics
Magnetic materials
topic Materials magnètics
Propietats magnètiques
Física de l'estat sòlid
Magnetic properties
Solid state physics
Magnetic materials
description Magnetic interactions in ionic solids are studied using parameter-free methods designed to provide accurate energy differences associated with quantum states defining the Heisenberg constant J. For a series of ionic solids including KNiF3, K2NiF4, KCuF3, K2CuF4, and high- Tc parent compound La2CuO4, the J experimental value is quantitatively reproduced. This result has fundamental implications because J values have been calculated from a finite cluster model whereas experiments refer to infinite solids. The present study permits us to firmly establish that in these wide-gap insulators, J is determined from strongly local electronic interactions involving two magnetic centers only thus providing an ab initio support to commonly used model Hamiltonians.
publishDate 1999
dc.date.none.fl_str_mv 1999
2010
2010
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/10840
url https://hdl.handle.net/2445/10840
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Reproducció digital del document publicat en format paper, proporcionada per PROLA i http://dx.doi.org/10.1103/PhysRevB.59.R6593
Physical Review B, 1999, vol. 59, núm. 10, p. R6593-R6596
http://dx.doi.org/10.1103/PhysRevB.59.R6593
dc.rights.none.fl_str_mv (c) The American Physical Society, 1999
info:eu-repo/semantics/openAccess
rights_invalid_str_mv (c) The American Physical Society, 1999
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 4 p.
application/pdf
dc.publisher.none.fl_str_mv The American Physical Society
publisher.none.fl_str_mv The American Physical Society
dc.source.none.fl_str_mv Articles publicats en revistes (Ciència dels Materials i Química Física)
reponame:Recercat. Dipósit de la Recerca de Catalunya
instname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
instname_str Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
reponame_str Recercat. Dipósit de la Recerca de Catalunya
collection Recercat. Dipósit de la Recerca de Catalunya
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,811543

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