Interplay between electron correlations and polar displacements in metallic SrEuMo2 O6

Gianluca Giovannetti, Danilo Puggioni, James M Rondinelli, Massimo Capone

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

Using density functional theory and dynamical mean-field theory, we study the electronic properties of the proposed candidate polar metal SrEuMo2O6. Its electronic structure shares similarities with centrosymmetric SrMoO3 and EuMoO3, from which it may be considered an ordered derivative, but polar displacements of the divalent cations and oxide anions lift inversion symmetry mediated by an anharmonic lattice interaction in the metallic state. We find that Hund's coupling promotes the effects of electronic correlations owing to the Mo4+ d2 electronic configuration, producing a correlated metallic phase far from the Mott state. The contraindication between metallicity and polar distortions is thereby alleviated in part through the renormalized quasiparticles, which are unable to fully screen the ordered local dipoles.

Original languageEnglish (US)
Article number115147
JournalPhysical Review B
Volume93
Issue number11
DOIs
StatePublished - Mar 30 2016

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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