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Phys. Rev. B 65, 104302 (2002) [7 pages]

Nature of vibrational eigenmodes in topologically disordered solids

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S. I. Simdyankin1,2, S. N. Taraskin3, M. Elenius2, S. R. Elliott3, and M. Dzugutov2
1Département de physique, Université de Montréal, C.P. 6128, succursale Centre-ville, Montréal, Québec, Canada H3C 3J7
2Department of Numerical Analysis and Computer Science, Royal Institute of Technology, SE-100 44 Stockholm, Sweden
3Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom

Received 12 November 2001; published 26 February 2002

We use a local projectional analysis method to investigate the effect of topological disorder on the vibrational dynamics in a model glass simulated by molecular dynamics. Evidence is presented that the vibrational eigenmodes in the glass are generically related to the corresponding eigenmodes of its crystalline counterpart via disorder-induced level repelling and hybridization effects. It is argued that the effect of topological disorder in the glass on the dynamical matrix can be simulated by introducing positional disorder in a crystalline counterpart.

© 2002 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.65.104302
DOI:
10.1103/PhysRevB.65.104302
PACS:
63.50.+x, 61.43.-j, 63.20.Dj