On the Theory of Thermally Weighted Electron-Phonon Transition Probabilities
Affiliation:
1. Institut für Theoretische Physik der Universität Tübingen
Abstract
Abstract
We present a refined calculation method for the phonon part (Franck-Condon Overlaps) of the transition probabilities of electron-phonon radiative and non-radiative transitions in crystals. The evaluation of the thermal averaged Franck-Condon integrals is a purely algebraic method and the transition probabilities we use are derived from first principles and completely atomistic. For the electronic transitions we take into account the frequency shift of the lattice and the change of the phonon normal coordinates. Explicit formulae of the phonon parts are derived and it is shown that the common transition probabilities used in literature are special cases of our functional calculation technique.
Publisher
Walter de Gruyter GmbH
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics