X-ray-absorption measurements of solid and liquid CuBr in the T = 295-793 K range of temperature an presented. Accurate short-range structural parameters are extracted using simultaneous Cu and Br K-edge extended x-ray-absorption fine-structure (EXAFS) refinement in the framework of the multiple-scattering GNXAS method for data analysis. In solid CuBr we find an increasing asymmetry of the first-neighbor g(CuBr)(T) distribution function as a function of temperature. The foot and the most probable value of the first-neighbor distribution an found to shift up to about 0.09 Angstrom toward shorter distances from 295 to 670 K, while the long-range part of distribution broadens at high temperatures. Results are discussed taking into account previous neutron diffraction and EXAFS results. A complete account of our EXAFS experiment on liquid CuBr is also reported. The short-range Cu-Br distribution is extracted showing evidence for nearly covalent bonding and improving previous neutron diffraction results. The short-range CuBr liquid structure is found to be quite similar to that of the high-temperature solid. The excellent short-range EXAFS sensitivity and its complementarity with usual diffraction techniques for studying disordered systems are discussed. [S0163-1829(97)01041-2].

Short-range structure in solid and liquid CuBr probed by multiple-edge x-ray-absorption spectroscopy

MINICUCCI, Marco;DI CICCO, Andrea
1997

Abstract

X-ray-absorption measurements of solid and liquid CuBr in the T = 295-793 K range of temperature an presented. Accurate short-range structural parameters are extracted using simultaneous Cu and Br K-edge extended x-ray-absorption fine-structure (EXAFS) refinement in the framework of the multiple-scattering GNXAS method for data analysis. In solid CuBr we find an increasing asymmetry of the first-neighbor g(CuBr)(T) distribution function as a function of temperature. The foot and the most probable value of the first-neighbor distribution an found to shift up to about 0.09 Angstrom toward shorter distances from 295 to 670 K, while the long-range part of distribution broadens at high temperatures. Results are discussed taking into account previous neutron diffraction and EXAFS results. A complete account of our EXAFS experiment on liquid CuBr is also reported. The short-range Cu-Br distribution is extracted showing evidence for nearly covalent bonding and improving previous neutron diffraction results. The short-range CuBr liquid structure is found to be quite similar to that of the high-temperature solid. The excellent short-range EXAFS sensitivity and its complementarity with usual diffraction techniques for studying disordered systems are discussed. [S0163-1829(97)01041-2].
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11581/237397
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