Quantum statistical approach to Debye-Waller factor in EXAFS: application to monatomic fcc systems.
Temperature dependence of the Debye-Waller factors in EXAFS is studied for monatomic fcc lattice by use of the perturbation approach in terms of temperature Green's function. We apply the theory to the temperature dependence of EXAFS for Kr and Ni crystals. Furthermore we make a comparison among sc, bcc and fcc lattices for the present ab initio calculations.
Katsumata
H
H
Graduate School of Science, The University of Tokyo, Japan. katumata@chem.s.u-tokyo.ac.jp
Miyanaga
T
T
Yokoyama
T
T
Fujikawa
T
T
Ohta
T
T