Vibrational properties of amorphous silicon from tight-binding O(N) calculation

Details Vibrational properties of amorphous silicon from tight-binding O(N) calculation Vibrational properties of amorphous silicon from tight-binding O(N) calculation

2001-08-13

arxiv.org/abs/cond-mat/0108208v2

Physics

Condensed Matter

Disordered Systems and Neural Networks

5 pages including 5 ps figures; added a figure and a few references; accepted in Phys. Rev. B

Scientific paper

10.1103/PhysRevB.65.125208

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($N^4$) 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.

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