Theory of hydrogen complexes in MnxGa1-xAs dilute magnetic semiconductors (Articolo in rivista)

Type
Label
  • Theory of hydrogen complexes in MnxGa1-xAs dilute magnetic semiconductors (Articolo in rivista) (literal)
Anno
  • 2006-01-01T00:00:00+01:00 (literal)
Alternative label
  • Giannozzi, P; Filippone, F; Bonapasta, AA (2006)
    Theory of hydrogen complexes in MnxGa1-xAs dilute magnetic semiconductors
    in Brazilian journal of physics (Impr.)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Giannozzi, P; Filippone, F; Bonapasta, AA (literal)
Pagina inizio
  • 245 (literal)
Pagina fine
  • 247 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 36 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Scuola Normale Super Pisa, I-56126 Pisa, Italy; Democritos Natl Simulat Ctr, I-56126 Pisa, Italy; CNR, Ist Struttura Mat, I-00016 Monterotondo, Italy (literal)
Titolo
  • Theory of hydrogen complexes in MnxGa1-xAs dilute magnetic semiconductors (literal)
Abstract
  • Atomic hydrogen diffuses in semiconductor lattices and binds to impurities by forming complexes that can lead to a full neutralization of the impurity effects. In the present paper, the structural, vibrational, electronic and magnetic properties of complexes formed by H in the MnxGa1-xAs (x=0.03) dilute magnetic semiconductor have been investigated by using first-principles DFT-LSD and LDA+U theoretical methods. The results account for recent experimental findings showing a H passivation of the electronic and magnetic properties of Mn in GaAs. Moreover, they show that electron correlation has crucial effects on the properties of H-Mn complexes. (literal)
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