Open AccessInterplay between electron correlations and polar displacements in metallicSrEuMo 2 O 6
Author(s) -
Gianluca Giovannetti,
Danilo Puggioni,
James M. Rondinelli,
Massimo Capone
Publication year - 2016
Publication title -
physical review. b./physical review. b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.78
H-Index - 465
eISSN - 2469-9969
pISSN - 2469-9950
DOI - 10.1103/physrevb.93.115147
Subject(s) - mott insulator , physics , polar , electronic structure , quasiparticle , condensed matter physics , density functional theory , metal , crystallography , materials science , quantum mechanics , superconductivity , chemistry , metallurgy
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