Vibrational properties of amorphous silicon from tight-binding O(N) calculation
Disordered Systems and Neural Networks
2009-11-07 v2 Materials Science
Abstract
We present an O(N) algorithm to study the vibrational properties of amorphous silicon within the framework of tight-binding approach. The dynamical matrix elements have been evaluated numerically in the harmonic approximation exploiting the short-range nature of the density matrix to calculate the vibrational density of states which is then compared with the same obtained from a standard O() algorithm. For the purpose of illustration, an 1000-atom model is studied to calculate the localization properties of the vibrational eigenstates using the participation numbers calculation.
Keywords
Cite
@article{arxiv.cond-mat/0108208,
title = {Vibrational properties of amorphous silicon from tight-binding O(N) calculation},
author = {Parthapratim Biswas},
journal= {arXiv preprint arXiv:cond-mat/0108208},
year = {2009}
}
Comments
5 pages including 5 ps figures; added a figure and a few references; accepted in Phys. Rev. B