<i>Ab initio</i> study of ferromagnetism induced by magnetic impurities in rutile TiO₂

Using the first-principles density-functional approach, magnetic properties of Mn-, Fe-, Co-, and Ni-doped rutile TiO₂ were investigated for two different impurity concentrations (25% and 6.25%). Calculations were performed with the Full-Potential Linearized-Augmented Plane Waves (FLAPW) method, ass...

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Detalles Bibliográficos
Autores principales: Errico, Leonardo Antonio, Weissmann, Mariana, Rentería, Mario
Formato: Articulo
Lenguaje:Inglés
Publicado: 2004
Materias:
Ciencias Exactas
Física
Density functional theory, local density approximation, gradient and other corrections
Other inorganic compounds
Magnetic impurity interactions
Magnetic semiconductors
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/132075
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-132075
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Ciencias Exactas
Física
Density functional theory, local density approximation, gradient and other corrections
Other inorganic compounds
Magnetic impurity interactions
Magnetic semiconductors
spellingShingle Ciencias Exactas
Física
Density functional theory, local density approximation, gradient and other corrections
Other inorganic compounds
Magnetic impurity interactions
Magnetic semiconductors
Errico, Leonardo Antonio
Weissmann, Mariana
Rentería, Mario
<i>Ab initio</i> study of ferromagnetism induced by magnetic impurities in rutile TiO₂
topic_facet Ciencias Exactas
Física
Density functional theory, local density approximation, gradient and other corrections
Other inorganic compounds
Magnetic impurity interactions
Magnetic semiconductors
description Using the first-principles density-functional approach, magnetic properties of Mn-, Fe-, Co-, and Ni-doped rutile TiO₂ were investigated for two different impurity concentrations (25% and 6.25%). Calculations were performed with the Full-Potential Linearized-Augmented Plane Waves (FLAPW) method, assuming that the magnetic impurities substitutionally replace the Ti ions. Our results show that the systems (with the exception of Ni-doped TiO₂) are ferromagnetic. We also found that polarization mainly occurs at the impurity sites, and the magnetic moments of the impurities are independent of the impurity concentration.
format Articulo
Articulo
author Errico, Leonardo Antonio
Weissmann, Mariana
Rentería, Mario
author_facet Errico, Leonardo Antonio
Weissmann, Mariana
Rentería, Mario
author_sort Errico, Leonardo Antonio
title <i>Ab initio</i> study of ferromagnetism induced by magnetic impurities in rutile TiO₂
title_short <i>Ab initio</i> study of ferromagnetism induced by magnetic impurities in rutile TiO₂
title_full <i>Ab initio</i> study of ferromagnetism induced by magnetic impurities in rutile TiO₂
title_fullStr <i>Ab initio</i> study of ferromagnetism induced by magnetic impurities in rutile TiO₂
title_full_unstemmed <i>Ab initio</i> study of ferromagnetism induced by magnetic impurities in rutile TiO₂
title_sort <i>ab initio</i> study of ferromagnetism induced by magnetic impurities in rutile tio₂
publishDate 2004
url http://sedici.unlp.edu.ar/handle/10915/132075
work_keys_str_mv AT erricoleonardoantonio iabinitioistudyofferromagnetisminducedbymagneticimpuritiesinrutiletio2
AT weissmannmariana iabinitioistudyofferromagnetisminducedbymagneticimpuritiesinrutiletio2
AT renteriamario iabinitioistudyofferromagnetisminducedbymagneticimpuritiesinrutiletio2
bdutipo_str Repositorios
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