Article (Scientific journals)
Structure of high temperature fluid selenium
Bichara, C.; Raty, Jean-Yves; Gaspard, Jean-Pierre
1999In Journal of Non-Crystalline Solids, 250-252, p. 419-422422
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Keywords :
Theoretical or Mathematical, Experimental/ EXAFS; liquid semiconductors; liquid structure; Monte Carlo methods; selenium; tight-binding calculations; X-ray diffraction/ Monte Carlo simulations; semi empirical tight binding model; dispersion forces; liquid Se structure; X-ray scattering; extended X-ray absorption fine structure; EXAFS; branching; breaking; 600 to 2000 K; Se/ A6125M Structure of liquid metals and liquid alloys A6120G Statistical theories of liquid structure A7870D X-ray absorption and absorption edges (condensed matter) A6120J Computer simulation of static and dynamic liquid behaviour/ temperature 6.0E+02 to 2.0E+03 K/ Se/el
Abstract :
[en] Monte Carlo simulations based on a semi empirical tight binding model including dispersion forces were performed to study liquid selenium at temperatures between 600 and 2000 K. The atomic structures obtained are in agreement with the X-ray scattering and extended X-ray absorption fine structure (EXAFS) data in a range of temperatures and densities. A correlation between the conductivity of high temperature fluid selenium and the degree of branching and breaking of the selenium chains is observed
Disciplines :
Physics
Chemistry
Author, co-author :
Bichara, C.
Raty, Jean-Yves  ;  Université de Liège - ULiège > Département de physique > Physique de la matière condensée
Gaspard, Jean-Pierre  ;  Université de Liège - ULiège > Département de physique > Département de physique
Language :
English
Title :
Structure of high temperature fluid selenium
Publication date :
1999
Journal title :
Journal of Non-Crystalline Solids
ISSN :
0022-3093
Publisher :
Elsevier Science, Amsterdam, Netherlands
Volume :
250-252
Pages :
419-422422
Peer reviewed :
Peer Reviewed verified by ORBi
Available on ORBi :
since 25 January 2012

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