We have calculated the quantum quadrupolar interaction due to charge density fluctuations of localized 4f -electrons in γ−Ce by taking into account the angular dependence, the degeneracy of the localized 4f −orbitals and the spin-orbit coupling. The calculated crystal field of 4f electronic states is in good agreement with neutron diffraction measurements. We show that orientational ordering of quantum quadrupoles drives a Fm3m → Pa3 phase transition at ∼ 86 K which we assign with the γ−α transformation. In the Pa3 phase the centers of mass of the Ce atoms still form a face centered cubic lattice. The theory accounts for the first order character of the transition and for the cubic lattice contraction which accompanies the transition. The transition temperature increases linearly with pressure. Our approach does not involve Kondo spin fluctuations as the significant process for the phase transition. PACS. 71.10.-w Theories and models of many electron systems -71.27.+a Strongly correlated electron systems; heavy fermions -71.45.-d Collective effects -64.70.Kb Solid-solid transitions
The confinement of a C60 molecule encapsulated in a cylindrical nanotube depends on the tube radius. In small tubes with radius RT approximately < 7 A, a fivefold axis of the molecule coincides with the tube axis. The interaction between C60 molecules in the nanotube is then described by a O2-rotor model on a 1D liquid chain with coupling between orientational and displacive correlations. This coupling leads to chain contraction. The structure factor of the 1D liquid is derived. In tubes with a larger radius the molecular centers of mass are displaced off the tube axis. The distinction of two groups of peapods with on- and off-axis molecules suggests an explanation of the apparent splitting of Ag modes of C60 in nanotubes measured by resonant Raman scattering.
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