Accurate evaluation of the interstitial KKR-Green function
Condensed Matter
2009-10-28 v1
Abstract
It is shown that the Brillouin zone integral for the interstitial KKR-Green function can be evaluated accurately by taking proper care of the free-electron singularities in the integrand. The proposed method combines two recently developed methods, a supermatrix method and a subtraction method. This combination appears to provide a major improvement compared with an earlier proposal based on the subtraction method only. By this the barrier preventing the study of important interstitial-like defects, such as an electromigrating atom halfway along its jump path, can be considered as being razed.
Keywords
Cite
@article{arxiv.cond-mat/9609052,
title = {Accurate evaluation of the interstitial KKR-Green function},
author = {J. P. Dekker and A. Lodder and R. Zeller and A. F. Tatarchenko},
journal= {arXiv preprint arXiv:cond-mat/9609052},
year = {2009}
}
Comments
23 pages, RevTeX