Ab initio strategy for muon site assignment in wide band gap fluorides (Articolo in rivista)

Type
Label
  • Ab initio strategy for muon site assignment in wide band gap fluorides (Articolo in rivista) (literal)
Anno
  • 2013-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1103/PhysRevB.87.115148 (literal)
Alternative label
  • Bernardini, F.; Bonfa, P.; Massidda, S.; De Renzi, R. (2013)
    Ab initio strategy for muon site assignment in wide band gap fluorides
    in Physical review. B, Condensed matter and materials physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Bernardini, F.; Bonfa, P.; Massidda, S.; De Renzi, R. (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 87 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 7 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 11 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • University of Cagliari; University of Cagliari; University of Parma; University of Parma (literal)
Titolo
  • Ab initio strategy for muon site assignment in wide band gap fluorides (literal)
Abstract
  • We report on an ab initio strategy based on density functional theory to identify the muon sites. Two issues must be carefully addressed: muon delocalization about candidate interstitial sites and local structural relaxation of the atomic positions due to mu(+)-sample interaction. Here, we verify our strategy's validity focusing on two wide band gap materials, LiF and YF3, where both mu(+) delocalization and crystal lattice relaxation play an important role in determining the mu(+) stopping site positions. DOI: 10.1103/PhysRevB.87.115148 (literal)
Prodotto di
Autore CNR

Incoming links:


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