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

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. (C) 1998 Elsevier Science Ltd. All rights reserved.


Published in:
Solid State Communications, 107, 1, 7-11
Year:
1998
ISSN:
0038-1098
Keywords:
Laboratories:




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