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Title: Structural, dynamic, electronic, and vibrational properties of flexible, intermediate, and stressed rigid As-Se glasses and liquids from first principles molecular dynamics

The structural, vibrational, electronic, and dynamic properties of amorphous and liquid As{sub x}Se{sub 1-x} (0.10
Authors:
 [1] ;  [2] ;  [3] ;  [2]
  1. Department of Civil and Environmental Engineering, University of California, Los Angeles, California 90095-1593 (United States)
  2. Laboratoire de Physique Théorique de la Matière Condensée, Université Pierre et Marie Curie, 4 Place Jussieu, F-75252 Paris Cedex 05 (France)
  3. (Qatar)
Publication Date:
OSTI Identifier:
22415383
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 19; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ARSENIC SELENIDES; DIFFUSION; FLEXIBILITY; GLASS; LIQUIDS; MEAN-FIELD THEORY; MOLECULAR DYNAMICS METHOD; STRESSES