Maximally-localized Wannier functions for disordered systems: application to amorphous silicon
Materials Science
2009-10-31 v1
Abstract
We use the maximally-localized Wannier function method to study bonding properties in amorphous silicon. This study represents, to our knowledge, the first application of the Wannier-function analysis to a disordered system. Our results show that, in the presence of disorder, this method is extremely helpful in providing an unambiguous picture of the bond distribution. In particular, defect configurations can be studied and characterized with a novel degree of accuracy that was not available before.
Keywords
Cite
@article{arxiv.cond-mat/9804019,
title = {Maximally-localized Wannier functions for disordered systems: application to amorphous silicon},
author = {Pier Luigi Silvestrelli and Nicola Marzari and David Vanderbilt and Michele Parrinello},
journal= {arXiv preprint arXiv:cond-mat/9804019},
year = {2009}
}
Comments
4 pages, with 3 PostScript figures embedded. Uses RevTex and epsf macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/index.html#nm_asi