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cond-mat.mtrl-sci2014
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…
cond-mat.mtrl-sci2007★ 10 cited
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…