Applicability of the Broken-Bond Rule to the Surface Energy of the fcc Metals

Details Applicability of the Broken-Bond Rule to the Surface Energy of the fcc Metals Applicability of the Broken-Bond Rule to the Surface Energy of the fcc Metals

2001-10-11

arxiv.org/abs/cond-mat/0110236v1

Surface Science 511, 1 (2002)

Physics

Condensed Matter

13 pages, 5 figures, to appear in July in Surface Science Vol. 511,1 (2002)

Scientific paper

10.1016/S0039-6028(02)01547-9

We apply the Green's function based full-potential screened Korringa-Kohn-Rostoker method in conjunction with the local density approximation to study the surface energies of the noble and the fcc transition and $sp$ metals. The orientation dependence of the transition metal surface energies can be well described taking into account only the broken bonds between first neighbors, quite analogous to the behavior we recently found for the noble metals [see cond-mat/0105207]. The (111) and (100) surfaces of the $sp$ metals show a jellium like behavior but for the more open surfaces we find again the noble metals behavior but with larger deviation from the broken-bond rule compared to the transition metals. Finally we show that the use of the full potential is crucial to obtain accurate surface energy anisotropy ratios for the vicinal surfaces.

Affiliated with

Also associated with

No associations

Rating

Applicability of the Broken-Bond Rule to the Surface Energy of the fcc Metals 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 Applicability of the Broken-Bond Rule to the Surface Energy of the fcc Metals, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Applicability of the Broken-Bond Rule to the Surface Energy of the fcc Metals will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-716316