Off-center Li ions: solid state rotators described by Mathieu's nonlinear-oscillator equation

Abstract:

Substitutional impurity ions in crystals are known to displace off-center and to perform hindered rotations around the ideal lattice positions. The vibronic theory to describe both the off-center displacements and the hindered rotations by a single angular equation incorporates terms up to 3rd order in the off-center displacement coordinates. When the rotation is confined to a single plane, the corresponding vibronic equation is equivalent to Mathieu's equation. Extending our earlier work, we derive here the dipole-dipole coupling to take into account cooperative phenomena. We also derive the optical absorption band arising from dipolar transitions across “Mexican Hat” surfaces, and we show that hindered rotations gives rise to magnetic moments quantized in rotational bands.