Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5497320 | Physics Procedia | 2016 | 9 Pages |
Abstract
Microcrystalline and nanocrystalline (6 nm) CuO were studied in situ by the Cu K-edge X-ray absorption spectroscopy as a function of pressure (0-20 GPa) and temperature (10-300 K). Pressure dependence of X-ray absorption near edge structure (XANES) was interpreted within the full-multiple-scattering formalism based on the relaxed atomic structure determined by ab initio linear combination of atomic orbital (LCAO) calculations. Temperature dependence of the mean-square relative displacement (MSRD) for the four shortest Cu-O distances was obtained from the analysis of extended X-ray absorption fine structure (EXAFS) and described by the correlated Einstein model with the characteristic temperature θE =589 K. It was found that the thermal motion of copper and four oxygen atoms forming square-planar coordination is strongly correlated.
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Authors
A. Kuzmin, A. Anspoks, A. Kalinko, A. Rumjancevs, J. Timoshenko, L. Nataf, F. Baudelet, T. Irifune,