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Dynamic Displacement Disorder of Cubic BaTiO₃

Pasciak, M.; Welberry, Thomas Richard; Kulda, J; Leoni, S.; Hlinka, J


The three-dimensional distribution of the x-ray diffuse scattering intensity of BaTiO 3 has been recorded in a synchrotron experiment and simultaneously computed using molecular dynamics simulations of a shell model. Together, these have allowed the details of the disorder in paraelectric BaTiO 3 to be clarified. The narrow sheets of diffuse scattering, related to the famous anisotropic longitudinal correlations of Ti ions, are shown to be caused by the overdamped anharmonic soft phonon branch....[Show more]

CollectionsANU Research Publications
Date published: 2018
Type: Journal article
Source: Physical Review Letters
DOI: 10.1103/PhysRevLett.120.167601
Access Rights: Open Access


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