Small-polaron theory of phonon-assisted defect tunneling with quadratic defect-lattice coupling: An exact result
- 15 December 1980
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 22 (12) , 6420-6427
- https://doi.org/10.1103/physrevb.22.6420
Abstract
Two earlier papers by D. Tonks and B. G. Dick presented an extension of the usual polaronlike treatment of phonon-assisted tunneling of substitutional lattice defects to include defect-lattice coupling terms quadratic in atomic displacements and momenta. The formal results treating the defect-lattice interaction to all orders in perturbation theory were given in the form of a diagrammatic series. But the series was not summed exactly, it was approximated. Here, we exactly sum the diagrammatic series by solving an integral equation and use the solution to shed light on the one-phonon approximation made of the series in the earlier papers. The diagrammatic summation exactly includes both changes in vibrational normal modes and changes in atomic equilibrium positions with a change in defect site.
Keywords
This publication has 10 references indexed in Scilit:
- The Dushinsky effect and sum rules for vibronic transitions in polyatomic moleculesJournal of Molecular Spectroscopy, 1979
- On the calculation of polyatomic Franck–Condon factors: Application to the 1A1g→1B2u absorption band of benzeneThe Journal of Chemical Physics, 1979
- Quadratic-coupling phonon-assisted defect-tunneling theory applied to the RbCl:off-center systemPhysical Review B, 1979
- Small-polaron theory of phonon-assisted defect tunneling with quadratic defect-lattice couplingPhysical Review B, 1979
- A many-body approach to the vibrational structure in molecular electronic spectra. I. TheoryThe Journal of Chemical Physics, 1976
- Renormalized tunneling of off-center impurities in alkali halidesPhysical Review B, 1975
- Theoretical Study of Optical Absorption Curves of Molecules. IIProgress of Theoretical Physics, 1973
- Influence of Quadratic Interactions on Impurity Absorption Bands in SolidsPhysica Status Solidi (b), 1971
- Franck—Condon Factors for Polyatomic MoleculesThe Journal of Chemical Physics, 1964
- Application of the Method of Generating Function to Radiative and Non-Radiative Transitions of a Trapped Electron in a CrystalProgress of Theoretical Physics, 1955