M. Minicucci et A. Dicicco, SHORT-RANGE STRUCTURE IN SOLID AND LIQUID CUBR PROBED BY MULTIPLE-EDGE X-RAY-ABSORPTION SPECTROSCOPY, Physical review. B, Condensed matter, 56(18), 1997, pp. 11456-11464
X-ray-absorption measurements of solid and liquid CuBr in the T = 295-
793 K range of temperature an presented. Accurate short-range structur
al parameters are extracted using simultaneous Cu and Br K-edge extend
ed x-ray-absorption fine-structure (EXAFS) refinement in the framework
of the multiple-scattering GNXAS method for data analysis. In solid C
uBr we find an increasing asymmetry of the first-neighbor g(CuBr)(T) d
istribution function as a function of temperature. The foot and the mo
st 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 temperatur
es. Results are discussed taking into account previous neutron diffrac
tion and EXAFS results. A complete account of our EXAFS experiment on
liquid CuBr is also reported. The short-range Cu-Br distribution is ex
tracted showing evidence for nearly covalent bonding and improving pre
vious neutron diffraction results. The short-range CuBr liquid structu
re is found to be quite similar to that of the high-temperature solid.
The excellent short-range EXAFS sensitivity and its complementarity w
ith usual diffraction techniques for studying disordered systems are d
iscussed. [S0163-1829(97)01041-2].