Recent well resolved neutron spectroscopy measurements of the magnetic excitations in PrO2 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 PrO2 after the analysis of different vibronic models (one-mode and two-mode phonon coupling models) for electrons interacting with distortions of e and t2 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 t2 modes in a multimode vibronic model lead to a quite good agreement with the experimental measurements.
Recent well resolved neutron spectroscopy measurements of the magnetic excitations in PrO2 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 PrO2 after the analysis of different vibronic models (one-mode and two-mode phonon coupling models) for electrons interacting with distortions of e and t2 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 t2 modes in a multimode vibronic model lead to a quite good agreement with the experimental measurements.
Bevilacqua, G., Ippolito, D., Martinelli, L. (2004). Jahn-Teller effect on PRO2: a multimode vibronic model. PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS, 69(15), 155208-1-155208-6 [10.1103/PhysRevB.69.155208].
Jahn-Teller effect on PRO2: a multimode vibronic model
BEVILACQUA, G.;
2004-01-01
Abstract
Recent well resolved neutron spectroscopy measurements of the magnetic excitations in PrO2 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 PrO2 after the analysis of different vibronic models (one-mode and two-mode phonon coupling models) for electrons interacting with distortions of e and t2 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 t2 modes in a multimode vibronic model lead to a quite good agreement with the experimental measurements.
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https://hdl.handle.net/11365/21634
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