Affordable Access

Density-functional characterization of the multiferroicity in spin spiral chain cuprates.

Authors
Type
Published Article
Journal
Physical review letters
Publication Date
Volume
99
Issue
25
Pages
257203–257203
Identifiers
PMID: 18233555
Source
Medline
License
Unknown

Abstract

The ferroelectricity of the spiral magnets LiCu2O2 and LiCuVO4 was examined by calculating the electric polarizations of their spin spiral states on the basis of density-functional theory with spin-orbit coupling. Our work unambiguously reveals that spin-orbit coupling is responsible for the ferroelectricity with the primary contribution from the spin-orbit coupling on the Cu sites, but the asymmetric density distribution responsible for the electric polarization occurs mainly around the O atoms. The electric polarization is calculated to be much greater for the ab-plane than for the bc-plane spin spiral. The observed spin-spiral plane is found to be consistent with the observed direction of the electric polarization for LiCuVO4, but inconsistent for LiCu2O2.

Statistics

Seen <100 times