10 citations · 10 across the 3 of their papers we have counts for
3 papers
Dynamical, Vibrational, Electronic and Optical Properties in c-Si:H with Bond-Centered-Hydrogen, H Dimers and Other H Complexes
Z. A. Ibrahim, A. I. Shkrebtii, F. Zimmer-de Iuliis +1
Hydrogen, introduced into crystalline (c-) or amorphous (a-) silicon (Si), plays an important role in improving Si properties for photovoltaics application. Low temperature proton…
Modeling of disordered materials: radial distribution function vs. vibrational spectra as a protocol for validation
F. Gaspari, I. M. Kupchak, A. I. Shkrebtii +1
As molecular dynamics is increasingly used to characterize non-crystalline materials, it is crucial to verify that the numerical model is accurate enough, consistent with experimen…
Temperature dependent vibrational spectra in non-crystalline materials: application to hydrogenated amorphous silicon
I. M. Kupchak, F. Gaspari, A. I. Shkrebtii +1
We present a novel approach for parameter-free modeling of the structural, dynamical and electronic properties of non-crystalline materials based on ab-initio Molecular Dynamics, i…