Issue |
Europhys. Lett.
Volume 36, Number 4, November I 1996
|
|
---|---|---|
Page(s) | 295 - 300 | |
Section | Condensed matter: structure, thermal and mechanical properties | |
DOI | https://doi.org/10.1209/epl/i1996-00225-3 | |
Published online | 01 September 2002 |
Hydrogen bonding and migration in amorphous silicon
Istituto Nazionale per la Fisica della Materia,
Dipartimento di Fisica, Università di Milano - Via Celoria 16, 20133 Milano, Italy
Received:
24
June
1996
Accepted:
19
September
1996
We present a theoretical study on the structure of hydrogenated amorphous silicon based on large-scale tight-binding molecular-dynamics simulations. The atomistic model here discussed is consistent with experimental findings and allows for a complete characterization of Si-H complexes embedded in the amorphous network. We also investigate the mechanism of migration of hydrogen in two concentration regimes and compute the activation energy for such a process. The microscopic mechanism emerging from the present investigation gives rise to a diffusion behaviour consistent with experimental results.
PACS: 66.30.Jt – Diffusion, migration, and displacement of impurities / 61.72.Ji – Point defects (vacancies, interstitials, color centers, etc.) and defect clusters / 61.43.Dq – Amorphous semiconductors and metals
© EDP Sciences, 1996
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