Understanding the electron-phonon interaction in polar crystals: Perspective presented by the vibronic theory

23rd International Symposium on the Jahn-Teller Effect

Pishtshev, A.^1 ; Kristoffel, N.^1

Institute of Physics, University of Tartu, W. Ostwaldi 1, Tartu

50411, Estonia^1

关键词: Electron density redistributions;    Favorable conditions;    Local-field effects;    Long wavelength;    Macroscopic levels;    Parametrizations;    Polar materials;    Vibronic interactions;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/833/1/012022/pdf
DOI  :  10.1088/1742-6596/833/1/012022

来源: IOP

【 摘 要 】

We outline our novel results relating to the physics of the electron-TO-phonon (el-TO-ph) interaction in a polar crystal. We explained why the el-TO-ph interaction becomes effectively strong in a ferroelectric, and showed how the electron density redistribution establishes favorable conditions for soft-behavior of the long-wavelength branch of the active TO vibration. In the context of the vibronic theory it has been demonstrated that at the macroscopic level the interaction of electrons with the polar zone-centre TO phonons can be associated with the internal long-range dipole forces. Also we elucidated a methodological issue of how local field effects are incorporated within the vibronic theory. These result provided not only substantial support for the vibronic mechanism of ferroelectricity but also presented direct evidence of equivalence between vibronic and the other lattice dynamics models. The corresponding comparison allowed us to introduce the original parametrization for constants of the vibronic interaction in terms of key material constants. The applicability of the suggested formula has been tested for a wide class of polar materials.