Y. Nishihata et al., TEMPERATURE-DEPENDENCE OF THE LOCAL-STRUCTURE AROUND THE TANTALUM ATOM IN POTASSIUM TANTALATE, Journal of physics. Condensed matter, 6(44), 1994, pp. 9317-9328
The local structure around the Ta atom in potassium tantalate KTaO3 ha
s been investigated using extended x-ray absorption fine-structure (EX
AFS) measurements. EXAFS spectra near the Ta L(III) edge were observed
at 24, 40, 100, 150, 200, 250 and 298 K. The Debye-Waller factor has
been analysed in detail as also have other local structure parameters.
Anharmonicity of the thermal vibration of the Ta atom which is locate
d at the centre of an oxygen octahedron is almost negligible below roo
m temperature, while anisotropy of the thermal vibration of the Ta ato
m increases gradually with decreasing temperature. It has been found t
hat the anisotropic thermal vibration in the [001] directions at low t
emperatures, which was estimated by EXAFS analysis, corresponds to the
softening of the transverse optical phonon at the Brillouin zone cent
re found by an inelastic neutron scattering study.