Ab initio calculations of the dynamical response of copper

Details Ab initio calculations of the dynamical response of copper Ab initio calculations of the dynamical response of copper

1999-03-05

arxiv.org/abs/cond-mat/9903099v1

Phys. Rev. B 59, 12188 (1999)

Physics

Condensed Matter

Materials Science

4 pages, 4 figures, to appear in Phys. Rev. B

Scientific paper

10.1103/PhysRevB.59.12188

The role of localized $d$-bands in the dynamical response of Cu is investigated, on the basis of {\em ab initio} pseudopotential calculations. The density-response function is evaluated in both the random-phase approximation (RPA) and a time-dependent local-density functional approximation (TDLDA). Our results indicate that in addition to providing a polarizable background which lowers the free-electron plasma frequency, d-electrons are responsible, at higher energies and small momenta, for a double-peak structure in the dynamical structure factor. These results are in agreement with the experimentally determined optical response of copper. We also analyze the dependence of dynamical scattering cross sections on the momentum transfer.

Affiliated with

Also associated with

No associations

Rating

Ab initio calculations of the dynamical response of copper 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 calculations of the dynamical response of copper, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Ab initio calculations of the dynamical response of copper will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-617199