Debye-Waller Factors of Tetragonal Barium Titanate

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Abstract
The anisotropic temperature parameters of tetragonal BaTiO 3 are studied theoretically on the basis of thermal diffuse X-ray scattering, and the effect of piezo-electricity is particularly noted. The calculations of the average temperature parameters along the a - and the b -axis respectively are B 11 P =0.69 and B 33 P =0.20 (in Å 2 units) in the unclamped case and B 11 E =0.72 and B 33 E =0.29 in the clamped case. These results are then compared with previous experimental results from X-ray (Evans) and neutron diffraction (Frazer).