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Dagenais P, Lewis LJ, Roorda S. Understanding subtle changes in medium-range order in amorphous silicon. J Phys Condens Matter. 2015;27(29):295801doi: 10.1088/0953-8984/27/29/295801.
Dagenais, P., Lewis, L. J., & Roorda, S. (2015). Understanding subtle changes in medium-range order in amorphous silicon. Journal of physics. Condensed matter : an Institute of Physics journal, 27(29), 295801. https://doi.org/10.1088/0953-8984/27/29/295801
Dagenais, Paule, et al. "Understanding subtle changes in medium-range order in amorphous silicon." Journal of physics. Condensed matter : an Institute of Physics journal vol. 27,29 (2015): 295801. doi: https://doi.org/10.1088/0953-8984/27/29/295801
Dagenais P, Lewis LJ, Roorda S. Understanding subtle changes in medium-range order in amorphous silicon. J Phys Condens Matter. 2015 Jul 29;27(29):295801. doi: 10.1088/0953-8984/27/29/295801. Epub 2015 Jul 08. PMID: 26154238.
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J Phys Condens Matter. 2015 Jul 29;27(29):295801. doi: 10.1088/0953-8984/27/29/295801. Epub 2015 Jul 08.

Understanding subtle changes in medium-range order in amorphous silicon.

Journal of physics. Condensed matter : an Institute of Physics journal

Paule Dagenais, Laurent J Lewis, Sjoerd Roorda

Affiliations

  1. Département de Physique et Regroupement Québécois sur les Matériaux de Pointe (RQMP), Université de Montréal, CP 6128, Succursale Centre-Ville, Montréal, QC H3C 3J7, Canada.

PMID: 26154238 DOI: 10.1088/0953-8984/27/29/295801

Abstract

Based on a detailed study of the radial distribution function (RDF) of a model for amorphous silicon (a-Si), we address the relation between short-range rearrangements and an increase in medium-range order induced by thermal relaxation. Recent experimental measurements have shown that a small peak appears in the RDF around 4.7 Å upon annealing, along with other subtle changes, and this is attributed to ordering among the dihedral angles. We show that, although this is a possible explanation, an increase in short-range order (up to second neighbors) is not only necessary for these changes to occur, but could also be their sole cause. To clarify the nature of disorder in the amorphous system, correlations among dihedral and tetrahedral angles are examined. The bivariate probability distribution of these two variables reveals small correlations between dihedral and tetrahedral angles, associated with the staggered and eclipsed conformations. In the first case, bond angles around 112.5[Formula: see text] are favored versus 120[Formula: see text] in the second case. Bond angles between 95[Formula: see text] and 100[Formula: see text] are less probable in both conformations.

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