Abstract
We have used first-principles-based simulations and Raman scattering techniques to reveal a novel dynamical phenomenon in solid solutions: a Fermi resonance (FR) emerging from the nonlinear coupling between ferroelectric (FE) motions and tiltings of oxygen octahedra. This FR manifests itself as the doubling of a nominally single FE mode in a purely FE phase, when the resonant frequency of the FE mode is close to the first overtone of the tiltings. We show that the FR is the result of a nonlinear coupling that is proportional to the spontaneous polarization of the material and derive an analytical model that captures the essence of the effect.
- Received 19 June 2011
DOI:https://doi.org/10.1103/PhysRevLett.107.175502
© 2011 American Physical Society