Zone-center dynamical matrix in magnetoelectrics (Articolo in rivista)

Type
Label
  • Zone-center dynamical matrix in magnetoelectrics (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.84.214428 (literal)
Alternative label
  • Resta, R. (2011)
    Zone-center dynamical matrix in magnetoelectrics
    in Physical review. B, Condensed matter and materials physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Resta, R. (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 84 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 6 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 21 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • University of Trieste; Ist Officina Mat CNR (literal)
Titolo
  • Zone-center dynamical matrix in magnetoelectrics (literal)
Abstract
  • In ordinary dielectrics, the dynamical matrix at the zone center in general is a nonanalytic function of degree zero in the wave vector q. Its expression (for a crystal of arbitrary symmetry) is well known and is routinely implemented in first-principles calculations. The nonanalytic behavior occurs in polar crystals and owes to the coupling of the macroscopic electric field E to the lattice. In magnetoelectric crystals both electric and magnetic fields, E and H, are coupled to the lattice, formally on equal footing. We provide the general expression for the zone-center dynamical matrix in a magnetoelectric, where the E and H couplings are accounted for in a symmetric way. As in the ordinary case, the dynamical matrix is a nonanalytic function of degree zero in q, and is exact in the harmonic approximation. For the sake of completeness, we address other issues, and in particular, we solve a problem, which might arise in first-principles implementations, where-differently than here-the basic fields are E and B (not H). (literal)
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