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arxiv: cond-mat/0701673 · v1 · submitted 2007-01-26 · ❄️ cond-mat.mtrl-sci · cond-mat.other

Hindered rotators by off-site ions in solids: Optical conductivity by sombrero potentials

classification ❄️ cond-mat.mtrl-sci cond-mat.other
keywords hinderedopticalrotatorsconductivityionsoff-centeroff-sitepotentials
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We consider the optical conductivity of carriers scattered by local sombrero potentials associated with hindered planar rotators in solids. Examples for hindered rotators are provided by off-center substitutional Li ions in colored alkali halides and off-site apical oxygens O(A) in layered perovskites. We obtain off-center displacements by solving for the vibronic mixing of electronic states at the displacing ion site. The eigenvalue equation of a hindered rotator is solved in 2D by Mathieu's periodic functions, as the rotation is quantized in rotational bands. We discuss the optical conductivities pertaining to each of the exemplified cases.

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