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Updated: May 12, 2026

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis
Published on: March 29, 2016
A study of hydrogen microstructure in amorphous silicon via inversion of nuclear magnetic resonance spectra
Rajendra Timilsina1, Parthapratim Biswas
1Department of Physics and Astronomy, The University of Southern Mississippi, Hattiesburg, MS 39406, USA.
Abstract:
We present an inverse approach for studying hydrogen microstructure in amorphous silicon. The approach consists of generating a prior distribution (of spins/hydrogen) by inverting experimental nuclear magnetic resonance (NMR) data, which is subsequently superimposed on a network of amorphous silicon. The resulting network is then relaxed using a total-energy functional to obtain a stable, low-energy configuration such that the initial spin distribution is minimally perturbed. The efficacy of this approach is demonstrated by generating model configurations that not only have the correct NMR spectra but also satisfy simultaneously experimental structural, electronic and vibrational properties of hydrogenated amorphous silicon.
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