Issue |
Europhys. Lett.
Volume 49, Number 5, March I 2000
|
|
---|---|---|
Page(s) | 597 - 602 | |
Section | Condensed matter: structure, mechanical and thermal properties | |
DOI | https://doi.org/10.1209/epl/i2000-00192-1 | |
Published online | 01 September 2002 |
EXAFS and Molecular Dynamics combined study of glass. New insight into site significance in silicate glasses
1
Laboratoire de Minéralogie-Cristallographie,
CNRS-Universités Paris VI-VII-IPGP
Tour 16 Case 115, 4 place Jussieu, 75252 Paris Cedex 05, France
2
Laboratório Nacional de
Luz Síncrotron CP 6192, 13083-970 Campinas, São Paulo, Brazil
3
CEA-Valrho - BP 171, 30207 Bagnols sur Cèze Cedex, France
4
Vetrotex International - 767 quai des Allobroges, BP 929 F-73009
Chambéry Cedex, France
5
INFM and Dipartimento di Fisica,
Università degli studi dell'Aquila 67010 Coppito, L'Aquila, Italy
Received:
18
August
1999
Accepted:
13
December
1999
A new and coherent view of the local environment of Fe2+ in silicate glasses is derived from a combined study by EXAFS and Molecular Dynamics simulation. Iron is located in distorted sites, whose geometry varies continuously from a tetrahedron to a triangular bipyramid. Iron polyhedra are apex-connected to the silicate network, while edge-linked to each other, matching with a random distribution of iron in the glass. Fe2+ does not have the significance of a network-forming element. Its local structure results from the freezing of dynamical exchange processes occurring in the liquid.
PACS: 61.43.Fs – Glasses / 61.10.Ht – X-ray absorption spectroscopy: EXAFS, NEXAFS, XANES, etc / 61.43.Bn – Structural modeling: serial-addition models, computer simulation
© EDP Sciences, 2000
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