Mechanical lattice instability and thermodynamical properties in classical solids (Articolo in rivista)

Type
Label
  • Mechanical lattice instability and thermodynamical properties in classical solids (Articolo in rivista) (literal)
Anno
  • 2011-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1103/PhysRevB.84.184305 (literal)
Alternative label
  • G. Rastelli (1); E. Cappelluti (2,3) (2011)
    Mechanical lattice instability and thermodynamical properties in classical solids
    in Physical review. B, Condensed matter and materials physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • G. Rastelli (1); E. Cappelluti (2,3) (literal)
Pagina inizio
  • 184305 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url
  • http://prb.aps.org/abstract/PRB/v84/i18/e184305 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 84 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 18 (literal)
Note
  • ISI Web of Science (WOS) (literal)
  • Scopu (literal)
  • Google Scholar (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • 1 Univ. Grenoble 1/CNRS, LPMMC UMR 5493, Maison des Magistères, F-38042 Grenoble, France 2 Instituto de Ciencia de Materiales de Madrid (ICMM), CSIC, c. Sor Juana Inés de la Cruz 3, Cantoblanco, E-28049 Madrid, Spain 3 Istituto dei Sistemi Complessi (ISC), CNR, v. dei Taurini 19, I-00185 Rome, Italy (literal)
Titolo
  • Mechanical lattice instability and thermodynamical properties in classical solids (literal)
Abstract
  • In this paper, we revisit the onset of the instability of the solid state in classical systems within self-consistent phonon theory (SCPT). Spanning the whole phase diagram versus volume and versus pressure, we identify two different kinds of mechanisms: one mainly relevant at constant volume, associated with the vanishing of the SCPT solution, and one related to the disappearing at a spinodal temperature of the solid phase as a metastable energy minimum. We show how the first mechanism occurs at extremely high temperatures and it is not reflected in any singular behavior of the thermodynamical properties. In contrast, the second one appears at physical temperatures which correlate well with the melting temperature, and it is signalized by the divergence of the thermal compressibility as well as of the lattice expansion coefficient. (literal)
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