Debye-Waller Factors of Tetragonal Barium Titanate

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The anisotropic temperature parameters of tetragonal BaTiO3 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 B11P=0.69 and B33P=0.20 (in Å2 units) in the unclamped case and B11E=0.72 and B33E=0.29 in the clamped case. These results are then compared with previous experimental results from X-ray (Evans) and neutron diffraction (Frazer).

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