Ab initio calculation of resonant X-ray scattering in Manganites

Details Ab initio calculation of resonant X-ray scattering in Manganites Ab initio calculation of resonant X-ray scattering in Manganites

2000-12-06

arxiv.org/abs/cond-mat/0012084v1

Physics

Condensed Matter

Strongly Correlated Electrons

4 pages, 4 figures, accepted for publication in Phys. Rev. B

Scientific paper

10.1103/PhysRevB.63.060408

We study the origin of the resonant x-ray signal in manganites and generalize the resonant cross-section to the band structure framework. With {\it ab initio} LSDA and LSDA+U calculations we determine the resonant x-ray spectrum of LaMnO$_3$. The calculated spectrum and azimuthal angle dependence at the Mn $K$-edge reproduce the measured data without adjustable parameters. The intensity of this signal is directly related to the orthorhombicity of the lattice. We also predict a resonant x-ray signal at the La $L$-edge, caused by the tilting of the MnO$_6$ octahedra. This shows that the resonant x-ray signal in the hard x-ray regime can be understood in terms of the band structure of a material and is sensitive to the fine details of crystal structure.

Affiliated with

Also associated with

No associations

Rating

Ab initio calculation of resonant X-ray scattering in Manganites 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 Ab initio calculation of resonant X-ray scattering in Manganites, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Ab initio calculation of resonant X-ray scattering in Manganites will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-632459