Magnetism in C- or N-doped MgO and ZnO: A Density-Functional Study of Impurity Pairs (Articolo in rivista)

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Label
  • Magnetism in C- or N-doped MgO and ZnO: A Density-Functional Study of Impurity Pairs (Articolo in rivista) (literal)
Anno
  • 2010-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1103/PhysRevLett.105.267203 (literal)
Alternative label
  • Wu, H; Stroppa, A; Sakong, S; Picozzi, S; Scheffler, M; Kratzer, P (2010)
    Magnetism in C- or N-doped MgO and ZnO: A Density-Functional Study of Impurity Pairs
    in Physical review letters (Print)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Wu, H; Stroppa, A; Sakong, S; Picozzi, S; Scheffler, M; Kratzer, P (literal)
Pagina inizio
  • 267203 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url
  • http://prl.aps.org/abstract/PRL/v105/i26/e267203 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 105 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 26 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • 1. Univ Cologne, Inst Phys 2, D-50937 Cologne, Germany 2. Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China 3. CNR SPIN, Laquila, Italy 4. Univ Duisburg Essen, Fak Phys, D-47048 Duisburg, Germany 5. Univ Duisburg Essen, Ctr Nanointegrat CeNIDE, D-47048 Duisburg, Germany 6. Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany (literal)
Titolo
  • Magnetism in C- or N-doped MgO and ZnO: A Density-Functional Study of Impurity Pairs (literal)
Abstract
  • It is shown that substitution of C or N for O recently proposed as a way to create ferromagnetism in otherwise nonmagnetic oxide insulators is curtailed by formation of impurity pairs, and the resultant C(2) spin 1 dimers as well as the isoelectronic N(2)(2+) interact antiferromagnetically in p-type MgO. For C-doped ZnO, however, we demonstrate using the Heyd-Scuseria-Ernzerhof hybrid functional that a resonance of the spin-polarized C(2) pp pi* states with the host conduction band results in a long-range ferromagnetic interaction. Magnetism of open-shell impurity molecules is proposed as a possible route to d(0)-ferromagnetism in oxide spintronic materials. (literal)
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