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
1997-01-01
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].I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
