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Recently there has been paid much attention to phenomena caused by local anharmonic vibrations of the guest ions encapsulated in polyhedral cages of materials such as pyrochlore oxides, filled skutterdites and clathrates. We theoretically investigate the optical conductivity solely due to these so-called rattling phonons in a one-dimensional anharmonic potential model. The dipole interaction of the guest ions with electric fields induces excitations expressed as transitions among vibrational states with non-equally spaced energies, resulting in a natural line broadening and a shift of the peak frequency as anharmonic effects. In the case of a single well potential, a softening of the peak frequency and an asymmetric narrowing of the line width with decreasing temperature are understood as a shift of the spectral weight to lower level transitions. On the other hand, the case of a double minima potential leads to a multi-splitting of a spectral peak in the conductivity spectrum with decreasing temperature.
A quantum Langevin model, similar to models used recently for optomechanics, was used to predict intermodulation phonon sidebands (IPS). Ab initio calculations of anharmonic phonons in rocksalt NaBr showed these spectral features as many-body effects
The phonon density of states (DOS) and magnetic excitation spectrum of polycrystalline BiFeO$_3$ were measured for temperatures $200 leq T leq 750,$K, using inelastic neutron scattering (INS). Our results indicate that the magnetic spectrum of BiFeO$
Hybrid organolead perovskites (HOP) have started to establish themselves in the field of photovoltaics, mainly due to their great optoelectronic properties and steadily improving solar cell efficiency. Study of the lattice dynamics is key in understa
We have investigated the anisotropic thermal expansion of graphite using ab-initio calculation of lattice dynamics and anharmonicity of the phonons, which reveal that the negative thermal expansion (NTE) in the a-b plane below 600 K and very large po
Time-resolved Raman spectroscopy has been applied to probe the anharmonic coupling and electron-phonon interaction of optical phonons in graphite. From the decay of the transient anti-Stokes scattering of the G-mode following ultrafast excitation, we