First-principles study of hydrogenated amorphous silicon

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First-principles study of hydrogenated amorphous silicon

K. Jarolimek,1,2 R. A. de Groot,2 G. A. de Wijs,2 and M. Zeman1 1DIMES, Delft University of Technology, Feldmannweg 17, 2600 GB Delft, The Netherlands 2Electronic Structure of Materials, Institute for Molecules and Materials, Faculty of Science, Radboud University Nijmegen, Heyendaalseweg 135, 6525 AJ Nijmegen, The Netherlands Received 23 May 2008; revised manuscript received 9 February 2009; p...

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Mechanisms of metastability in hydrogenated amorphous silicon

We survey theoretical approaches to understanding the diverse metastable behavior in hydrogenated amorphous silicon. We discuss a recently developed network-rebonding model involving bonding rearrangements of silicon and hydrogen atoms. Using tight-binding molecular dynamics we find non-radiative recombination can break weak silicon bonds with low activation energies, producing dangling bond–fl...

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Multiple-quantum NMR study of clustering in hydrogenated amorphous silicon.

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ژورنال

عنوان ژورنال: Physical Review B

سال: 2009

ISSN: 1098-0121,1550-235X

DOI: 10.1103/physrevb.79.155206