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Title: Structure of Se-Te glasses studied using neutron, X-ray diffraction and reverse Monte Carlo modelling

Abstract

Pulsed neutron diffraction and synchrotron X-ray diffraction measurements were performed on Se{sub 100-x}Te{sub x} bulk glasses with x=10, 20, 30 and 40. The coordination numbers obtained from the diffraction results demonstrate that Se and Te atoms are twofold coordinated and the glass structure is formed by the chain network. The three-dimensional structure model for Se{sub 60}Te{sub 40} glass obtained by using reverse Monte Carlo modelling shows that the alternating arrangements of Se and Te atoms compose the major part of the chain clusters but several other fragments such as Se{sub n} chains and Te-Te dimers are also present in large numbers. The chain clusters have geometrically disordered forms and the interchain atomic order is different from those in the crystal structures of trigonal Se and trigonal Te. - Graphical abstract: Coordination environment in Se{sub 60}Te{sub 40} glass.

Authors:
 [1]
  1. Graduate School of Education, Okayama University, Tsushima-naka, Okayama 700-8530 (Japan)
Publication Date:
OSTI Identifier:
22658208
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 246; Other Information: Copyright (c) 2016 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; GLASS; MONTE CARLO METHOD; NEUTRON DIFFRACTION; SELENIUM COMPOUNDS; SIMULATION; TELLURIUM COMPOUNDS; X-RAY DIFFRACTION

Citation Formats

Itoh, Keiji, and Research Reactor Institute, Kyoto University, Kumatori, Osaka 590-0494. Structure of Se-Te glasses studied using neutron, X-ray diffraction and reverse Monte Carlo modelling. United States: N. p., 2017. Web. doi:10.1016/J.JSSC.2016.12.012.
Itoh, Keiji, & Research Reactor Institute, Kyoto University, Kumatori, Osaka 590-0494. Structure of Se-Te glasses studied using neutron, X-ray diffraction and reverse Monte Carlo modelling. United States. doi:10.1016/J.JSSC.2016.12.012.
Itoh, Keiji, and Research Reactor Institute, Kyoto University, Kumatori, Osaka 590-0494. Wed . "Structure of Se-Te glasses studied using neutron, X-ray diffraction and reverse Monte Carlo modelling". United States. doi:10.1016/J.JSSC.2016.12.012.
@article{osti_22658208,
title = {Structure of Se-Te glasses studied using neutron, X-ray diffraction and reverse Monte Carlo modelling},
author = {Itoh, Keiji and Research Reactor Institute, Kyoto University, Kumatori, Osaka 590-0494},
abstractNote = {Pulsed neutron diffraction and synchrotron X-ray diffraction measurements were performed on Se{sub 100-x}Te{sub x} bulk glasses with x=10, 20, 30 and 40. The coordination numbers obtained from the diffraction results demonstrate that Se and Te atoms are twofold coordinated and the glass structure is formed by the chain network. The three-dimensional structure model for Se{sub 60}Te{sub 40} glass obtained by using reverse Monte Carlo modelling shows that the alternating arrangements of Se and Te atoms compose the major part of the chain clusters but several other fragments such as Se{sub n} chains and Te-Te dimers are also present in large numbers. The chain clusters have geometrically disordered forms and the interchain atomic order is different from those in the crystal structures of trigonal Se and trigonal Te. - Graphical abstract: Coordination environment in Se{sub 60}Te{sub 40} glass.},
doi = {10.1016/J.JSSC.2016.12.012},
journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = ,
volume = 246,
place = {United States},
year = {2017},
month = {2}
}