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3-D off-center Li+ rotors in alkali halides: solving for the eigenvalue problem

2009/01/14 by Mladen Georgiev, Georgiev, Mladen
Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci

paper · pdf · doi:10.48550/arxiv.0901.2129

10 pdf pages with 6 figures

arxiv created 2009/01/14 · arxiv updated 2009/12/01

Abstract

We are dealing with the long-standing problem of the eigenstates and eigenvalues of 3-D rotators by off-center impurity ions in alkali halides. The ion runs along the brim of a sombrero-like vibronic potential. The quantum-mechanical motion depending on two angular coordinates, we consider the motion along theta at averaged phi, and vice versa. We find the off-center ion performing two rotations: one in (x,y) plane along the azimuth phi and another one along the position angle theta, respectively, which are both described as Mathieu's non-linear oscillators. The motion along z is complemented by an anharmonic vibrational mode.

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