Ab initio study of magnetic properties of complexes formed by an Fe impurity and an intrinsic interstitial defect in ZnO (Articolo in rivista)

Type

• Articolo in rivista (Classe)
• Prodotto della ricerca (Classe)

Label

• Ab initio study of magnetic properties of complexes formed by an Fe impurity and an intrinsic interstitial defect in ZnO (Articolo in rivista) (literal)

Anno

• 2011-01-01T00:00:00+01:00 (literal)

Alternative label

• Debernardi A, Fanciulli M (2011)
  Ab initio study of magnetic properties of complexes formed by an Fe impurity and an intrinsic interstitial defect in ZnO
  in Physical review. B, Condensed matter and materials physics (Online)
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Debernardi A, Fanciulli M (literal)

Pagina inizio

• 24415 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 84 (literal)

Rivista

• Physical review. B, Condensed matter and materials physics (Rivista)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• 1. CNR INFM, MDM Natl Lab, I-20041 Agrate Brianza, Italy 2. Univ Milano Bicocca, Dipartimento Sci Mat, I-20125 Milan, Italy (literal)

Titolo

• Ab initio study of magnetic properties of complexes formed by an Fe impurity and an intrinsic interstitial defect in ZnO (literal)

Abstract

• By density factional supercell calculations we computed the total energy and the magnetic properties of isolated complexes formed in wurtzite ZnO doped with diluted Fe impurities in the presence of interstitial atoms of Zn or O. Interstitial O occupies preferentially a site with octahedral symmetry with substitutional Fe in the first neighbor shell, thus forming the complex Fe(Zn)-I(O). In contrast, the complex Fe(Zn)-I(Zn) is energetically unfavored with respect to the case where the two components are far apart. For oxygen-rich growth conditions, a significant population of complexes Fe(Zn)-I(O) is stable at (and above) room temperature, providing a key to understanding the room-temperature magnetism of this system. Interstitial oxygen, coupled with diluted Fe impurities, exhibit a density of states spin polarized at the Fermi energy. (literal)

Prodotto di

• Materiali e Dispositivi a Dimensionalità Ridotta (MD.P06.036.001) (Modulo)
• Institute for microelectronics and microsystems (IMM) (Istituto)
• Materiali autoassemblanti per applicazioni nanotecnologiche (MD.P05.025.001) (Modulo)

Autore CNR

• ALBERTO DEBERNARDI (Unità di personale interno)
• MARCO FANCIULLI (Persona)

Incoming links:

Prodotto

• Institute for microelectronics and microsystems (IMM) (Istituto)
• Materiali autoassemblanti per applicazioni nanotecnologiche (MD.P05.025.001) (Modulo)
• Materiali e Dispositivi a Dimensionalità Ridotta (MD.P06.036.001) (Modulo)

Autore CNR di

• MARCO FANCIULLI (Persona)
• ALBERTO DEBERNARDI (Unità di personale interno)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Physical review. B, Condensed matter and materials physics (Rivista)