Determination of Ti coordination from pre-edge peaks in Ti K-edge XANES

Journal Article · Sat Dec 01 04:00:00 EST 2007 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PHYSREVB.76.214117· OSTI ID:21052803

Jiang, N; Su, D; Spence, J C. H. ^[1]

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1. Department of Physics, Arizona State University, Tempe, Arizona 85287-1504 (United States)

The pre-edge peaks of Ti K-edge XANES have been widely used in determining Ti coordination in amorphous materials and in crystals despite the fact that coordination is not the only factor that the pre-edge peaks depend on. This work thoroughly examines the dependence of the shape of Ti K pre-edge peaks on various geometrical parameters (coordination, symmetry, Ti-O bond length and bond angle) using distorted rutile TiO{sub 2} as models. We conclude that the greatest impact on the pre-edge peaks arises from a reduction in Ti-O bond length, although other parameters such as symmetry and coordination all have some effect.

• OSTI ID: 21052803
• Journal Information: Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 21 Vol. 76; ISSN 1098-0121
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
ABSORPTION SPECTROSCOPY
BOND ANGLE
BOND LENGTHS
CRYSTALS
PEAKS
REDUCTION
RUTILE
TITANIUM OXIDES
X-RAY SPECTROSCOPY