Reference : Structure of high temperature fluid selenium

	Document type :	Scientific journals : Article
	Discipline(s) :	Physical, chemical, mathematical & earth Sciences : Physics Physical, chemical, mathematical & earth Sciences : Chemistry
	To cite this reference:	http://hdl.handle.net/2268/109693

Title :	Structure of high temperature fluid selenium
Language :	English
Author, co-author :	Bichara, C. [> > > >]
	Raty, Jean-Yves [Université de Liège - ULg > Département de physique > Physique de la matière condensée]
	Gaspard, Jean-Pierre [Université de Liège - ULg > Département de physique > Département de physique]
Publication date :	1999
Journal title :	Journal of Non-Crystalline Solids
Publisher :	Elsevier Science
Volume :	250-252
Pages :	419-422422
Audience :	International
ISSN :	0022-3093
City :	Amsterdam
Country :	The Netherlands
Keywords :	[en] 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
Permalink :	http://hdl.handle.net/2268/109693
DOI :	10.1016/S0022-3093(99)00271-9
Other URL :	http://www.sciencedirect.com/science/article/pii/S0022309399002719

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