Density Functional Theory Characterization of the Multiferroicity in Spin Spiral Chain Cuprates

Details Density Functional Theory Characterization of the Multiferroicity in Spin Spiral Chain Cuprates Density Functional Theory Characterization of the Multiferroicity in Spin Spiral Chain Cuprates

2007-08-20

arxiv.org/abs/0708.2582v2

Phys. Rev. Lett. 99, 257203 (2007)

Physics

Condensed Matter

Materials Science

Phys. Rev. Lett., in print

Scientific paper

10.1103/PhysRevLett.99.257203

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- 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.

Affiliated with

Also associated with

No associations

Rating

Density Functional Theory Characterization of the Multiferroicity in Spin Spiral Chain Cuprates does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Density Functional Theory Characterization of the Multiferroicity in Spin Spiral Chain Cuprates, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Density Functional Theory Characterization of the Multiferroicity in Spin Spiral Chain Cuprates will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-532761