B K-Edge XANES of Superstructural Units in Borate Glasses

Journal Article · Fri Feb 02 00:00:00 EST 2007 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.2644554· OSTI ID:21054650

Sipr, O; Simunek, A ^[1]; Rocca, F ^[2]

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1. Institute of Physics, Academy of Sciences of the Czech Republic, Cukrovarnicka 10, CZ-162 53 Prague (Czech Republic)
2. IFN-CNR, Istituto di Fotonica e Nanotecnologie del Consiglio Nazionale delle Ricerche, Sezione 'CeFSA' di Trento, Via Sommarive 18, I-38050 Povo (Trento) (Italy)

The potential of x-ray absorption near-edge structure (XANES) spectroscopy for studying medium range order in borate glasses is assessed by theoretical modelling of the spectra. B K edge XANES is calculated in case that B atoms are located in isolated BO3 and BO4 units and in case that B atom are located in superstructural units of 9-15 atoms. It is found that boroxol ring and diborate and ditriborate superstructural units give rise to spectra which differ from spectra obtained by a mere superposition of spectra of isolated BO3 and BO4 units. On the other hand, spectra of pentaborate and triborate units do not differ significantly from spectra of isolated BO3 and BO4.

• OSTI ID: 21054650
• Journal Information: AIP Conference Proceedings, Vol. 882, Issue 1; Conference: XAFS13: 13. international conference on X-ray absorption fine structure, Stanford, CA (United States), 9-14 Jul 2006; Other Information: DOI: 10.1063/1.2644554; (c) 2007 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ABSORPTION SPECTRA
ABSORPTION SPECTROSCOPY
ATOMIC CLUSTERS
BORATES
COMPUTERIZED SIMULATION
GLASS
X-RAY SPECTRA
X-RAY SPECTROSCOPY