Interacting Dipoles in Type-I Clathrates: Why Glass-like though Crystal?
arXiv:0809.1070 · doi:10.1209/0295-5075/84/66001
Abstract
Almost identical thermal properties of type-I clathrate compounds to those of glasses follow naturally from the consideration that off-centered guest ions possess electric dipole moments. Local fields from neighbor dipoles create many potential minima in the configuration space. A theoretical analysis based on two-level tunneling states demonstrates that interacting dipoles are a key to quantitatively explain the glass-like behaviors of low-temperature thermal properties of type-I clathrate compounds with off-centered guest ions.From this analysis, we predict the existence of a glass transition.
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- Retrieval of the atomic displacements in the crystal from the coherent x-ray diffraction pattern
- Optical conductivity from local anharmonic phonons
- Anharmonic phonon renormalization and thermal transport in the type-I BaGaSn clathrate from first principles
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