44 citations · 152 across the 6 of their papers we have counts for
6 papers
Large and realistic models of Amorphous Silicon
Dale Igram, Bishal Bhattarai, Parthapratim Biswas +1
Amorphous silicon (a-Si) models are analyzed for structural, electronic and vibrational characteristics. Several models of various sizes have been computationally fabricated for th…
Phonon driven transport in amorphous semiconductors: Transition probabilities
Ming-Liang Zhang, D. A. Drabold
Inspired by Holstein's work on small polaron hopping, the evolution equations of localized states and extended states in presence of atomic vibrations are derived for an amorphous…
Experimentally Constrained Molecular Relaxation: The case of hydrogenated amorphous silicon
Parthapratim Biswas, Raymond Atta-Fynn, David A. Drabold
We have extended our experimentally constrained molecular relaxation technique (P. Biswas {\it et al}, Phys. Rev. B {\bf 71} 54204 (2005)) to hydrogenated amorphous silicon: a 540-…
Inclusion of Experimental Information in First Principles Modeling of Materials
Parthapratim Biswas, De Nyago Tafen, Raymond Atta-Fynn +1
We propose a novel approach to model amorphous materials using a first principles density functional method while simultaneously enforcing agreement with selected experimental data…
Spatial decay of the single-particle density matrix in tight-binding metals: +AFwAXA- analytic results in two dimensions
S. N. Taraskin, P. A. Fry, Xiadong Zhang +2
Analytical results for the asymptotic spatial decay of the density matrix in the tight-binding model of the two-dimensional metal are…
Atomic layering at the liquid silicon surface: a first- principles simulation
G. Fabricius, E. Artacho, D. Sanchez-Portal +3
We simulate the liquid silicon surface with first-principles molecular dynamics in a slab geometry. We find that the atom-density profile presents a pronounced layering, similar to…