First-principle investigation of native and impurity defects in MgB2 (Articolo in rivista)

Type
Label
  • First-principle investigation of native and impurity defects in MgB2 (Articolo in rivista) (literal)
Anno
  • 2006-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1209/epl/i2006-10297-y (literal)
Alternative label
  • Bernardini, F; Massidda, S (2006)
    First-principle investigation of native and impurity defects in MgB2
    in Europhysics letters (Print)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Bernardini, F; Massidda, S (literal)
Pagina inizio
  • 491 (literal)
Pagina fine
  • 497 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url
  • http://iopscience.iop.org/0295-5075/76/3/491/ (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 76 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 3 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Univ Cagliari, CNR, SLACS, I-09124 Monserrato, CA, Italy; Univ Cagliari, Dipartimento Fis, I-09124 Monserrato, CA, Italy (literal)
Titolo
  • First-principle investigation of native and impurity defects in MgB2 (literal)
Abstract
  • We use first-principles techniques to investigate the properties of native defects and impurities in MgB2. We focus our investigation on those defects that could have a relevant role in Al and Li co-doped MgB2. This system shows an anomalous dependence of superconductivity on doping concentration, not yet understood. Structural effects such as segregation and clustering have been put forward to justify experimental evidence. Here we show that native defects have very high formation energies, that Al and Li do not form aggregates and incorporate as substitutional defects randomly distributed on the Mg sublattice sites. There exists a competition between segregation and incorporation of Li, the latter being slightly favored energetically. Our results suggest that anomaly in the superconducting behavior must be accounted for by electronic structure effects. (literal)
Prodotto di
Autore CNR
Insieme di parole chiave

Incoming links:


Autore CNR di
Prodotto
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi
Insieme di parole chiave di
data.CNR.it