Effect of high pressure on competing exchange couplings in Li2VOSiO4 (Articolo in rivista)

Type
Label
  • Effect of high pressure on competing exchange couplings in Li2VOSiO4 (Articolo in rivista) (literal)
Anno
  • 2008-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1103/PhysRevB.77.014425 (literal)
Alternative label
  • E. Pavarini; S. C. Tarantino; T. Boffa Ballaran; M. Zema; P. Ghigna; P. Carretta (2008)
    Effect of high pressure on competing exchange couplings in Li2VOSiO4
    in Physical review. B, Condensed matter and materials physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • E. Pavarini; S. C. Tarantino; T. Boffa Ballaran; M. Zema; P. Ghigna; P. Carretta (literal)
Pagina inizio
  • 014425 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 77 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 6 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • CNISM-Dipartimento di Fisica \"A. Volta,\" Università di Pavia, I-27100 Pavia, Italy Institut für Festkörperforschung, Forschungzentrum Jülich, 52425 Jülich, Germany Dipartimento di Scienze della Terra, I-27100 Pavia, Italy Bayerisches Geoinstitut, Universität Bayreuth, 95440 Bayreuth, Germany CNR-IGG Sezione di Pavia, I-27100 Pavia, Italy Dipartimento di Chimica Fisica, Università di Pavia, I-27100 Pavia, Italy (literal)
Titolo
  • Effect of high pressure on competing exchange couplings in Li2VOSiO4 (literal)
Abstract
  • We report x-ray diffraction measurements on Li2VOSiO4 single crystals under pressures up to 7.6 GPa. The structure evolution under high pressure evidences a strongly anisotropic compressibility and a significant contraction of Li-O bonds. The corresponding evolution of the electronic structure was calculated ab initio. Using first-principles Wannier functions, we constructed, for several pressures, a ?material-specific? low-energy one-band Hubbard model for the half-filled V xy bands. We found that the ratio between the next-nearest neighbor and nearest neighbor hopping integral, t2 / t1, decreases by about 23% when the pressure increases from 0 to 7.6 GPa. By means of standard superexchange theory, we estimated a corresponding decrease of about 40% in the ratio J2 /J1 between the next-nearest neighbor and nearest neighbor magnetic coupling. This suggests that one could possibly tune the ground state of this frustrated two-dimensional antiferromagnet from collinear to disordered by applying high pressures. (literal)
Prodotto di
Autore CNR
Insieme di parole chiave

Incoming links:


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