3 research outputs found
Vibrational properties of amorphous silicon from tight-binding O(N) calculation
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.Comment: 5 pages including 5 ps figures; added a figure and a few references;
accepted in Phys. Rev.