Abstract
Recent well resolved neutron spectroscopy measurements of the magnetic excitations in provide evidence of the dynamical Jahn-Teller effect on this dioxide. We calculate the differential cross section in a wide range of energy and the magnetic moment of after the analysis of different vibronic models (one-mode and two-mode phonon coupling models) for electrons interacting with distortions of e and symmetry. The Lanczos-recursion procedure is followed to determine the vibronic states in a nonperturbative way and with high precision. A very convenient choice of the initial state of the Lanczos chain is suggested here so allowing easy calculation of the differential cross section. It is found that e modes do not give reliable results in terms of intensities of the expected transitions, while modes in a multimode vibronic model lead to a quite good agreement with the experimental measurements.
- Received 5 December 2003
DOI:https://doi.org/10.1103/PhysRevB.69.155208
©2004 American Physical Society