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Origin of anomalous line shape of the lowest-frequency (formula presented) phonon in (formula presented)

Physical Review B - Condensed Matter and Materials Physics, ISSN: 1550-235X, Vol: 64, Issue: 1
2001
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Article Description

The origin of the anomalous line shape of the (formula presented) soft mode in (formula presented)-based single crystals was investigated by polarized Raman-scattering method over a wide range of temperature between 100 and 700 K. Detailed scattering data indicated that the previously proposed anharmonicity model could not properly explain the anomalous behavior of the lowest-frequency subpeak of the (formula presented) mode that was primarily responsible for the phonon softening of the undoped (formula presented) Further Raman studies of Ba-doped (formula presented) crystals showed that the Ba-impurity peak that dominated the soft-mode transition also had the (formula presented) symmetry of the (formula presented) host lattice. A careful comparison of these two distinct peaks having the same (formula presented) symmetry indicates that the observed anomalous line shape of the (formula presented) mode is caused not only by the lattice anharmonicity but also by some lattice defects. Particularly, the lowest-frequency subpeak of the (formula presented) mode is not directly related to the anharmonicity but originates from the existence of thermodynamically unavoidable lattice defects in (formula presented) © 2001 The American Physical Society.

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