Chain metallicity and competition between paramagnetism and antiferromagnetism in underdoped YBa2Cu3O6+x: A first principles description (Articolo in rivista)

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Label
  • Chain metallicity and competition between paramagnetism and antiferromagnetism in underdoped YBa2Cu3O6+x: A first principles description (Articolo in rivista) (literal)
Anno
  • 2008-01-01T00:00:00+01:00 (literal)
Alternative label
  • Filippetti, A; Lopez, GM; Mantega, M; Fiorentini, V (2008)
    Chain metallicity and competition between paramagnetism and antiferromagnetism in underdoped YBa2Cu3O6+x: A first principles description
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Filippetti, A; Lopez, GM; Mantega, M; Fiorentini, V (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 78 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • \"[Filippetti, Alessio] Univ Cagliari, Dept Fis, I-09042 Monserrato, CA, Italy; Univ Cagliari, INFM, CNR, SLACS, I-09042 Monserrato, CA, Italy (literal)
Titolo
  • Chain metallicity and competition between paramagnetism and antiferromagnetism in underdoped YBa2Cu3O6+x: A first principles description (literal)
Abstract
  • We describe, from advanced first principles calculations, the energetics of oxygen doping and its relation to insulator-metal transitions in underdoped YBa2Cu3O6+x. We find a strong tendency of doping oxygens to order into nonmagnetic Cu1+Ox chains at any x. Ordering produces one-dimensional metallic bands, while configurations with nonaligned oxygens are insulating. The Cu2+O2 planes remain insulating and antiferromagnetic up to a threshold between x=0.25 and 0.5, above which a paramagnetic normal-metal state prevails. The in-plane antiferroparamagnetic competition depends on x but only weakly on the ordering state of the chains. (literal)
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