Maximally-localized Wannier functions for disordered systems: application to amorphous silicon

Details Maximally-localized Wannier functions for disordered systems: application to amorphous silicon Maximally-localized Wannier functions for disordered systems: application to amorphous silicon

1998-04-02

arxiv.org/abs/cond-mat/9804019v1

Physics

Condensed Matter

Materials Science

4 pages, with 3 PostScript figures embedded. Uses RevTex and epsf macros. Also available at http://www.physics.rutgers.edu/~

Scientific paper

10.1016/S0038-1098(98)00175-6

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.

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