d-electron induced icosahedral growth in strontium clusters

Details d-electron induced icosahedral growth in strontium clusters d-electron induced icosahedral growth in strontium clusters

1998-06-13

arxiv.org/abs/cond-mat/9806167v1

Physics

Condensed Matter

Materials Science

4 pages, RevTex, single ps file. Submitted to Phys. Rev. Lett

Scientific paper

Strontium clusters of size 2 to 20 atoms have been studied within the local density approximation using the ab-initio molecular dynamics method with a plane wave basis in which the s and p electron wavefunctions are well represented. The resulting low lying isomers are optimized using a full-potential linear muffin tin orbital method which treats the d-electrons also on an equal footing. We find that the d electrons contribute significantly to the binding energy as the cluster size grows, expedite the onset of metallicity and induce icosahedral growth. These results are in complete agreement with the experimental finding of rare-gas like magic clusters of group IIA elements and suggest that the observation of icosahedral growth in some transition metal clusters may have a similar origin.

Affiliated with

Also associated with

No associations

Rating

d-electron induced icosahedral growth in strontium clusters 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 d-electron induced icosahedral growth in strontium clusters, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and d-electron induced icosahedral growth in strontium clusters will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-434779