Perfectly crystalline solids are excellent heat conductors. Prominent counterexamples are intermetallic clathrates, guest-host systems with a high potential for thermoelectric applications due to their ultralow thermal conductivities. Our combined experimental and theoretical investigation of the lattice dynamics of a particularly simple binary representative, Ba(8)Si(46), identifies the mechanism responsible for the reduction of lattice thermal conductivity intrinsic to the perfect crystal structure. Above a critical wave vector, the purely harmonic guest-host interaction leads to a drastic transfer of spectral weight to the guest atoms, corresponding to a localization of the propagative phonons.
The high-pressure behavior of SnO 2 nanoparticles (∼2.8 nm) was studied up to approximately 20 GPa using Raman spectroscopy in a diamond anvil cell and ab initio simulations. Above ∼7 GPa, the disordering, initially located at the surface, was found to propagate to the core of nanoparticles, ultimately leading to amorphous-like spectra. This observation can be interpreted as a disordering of the oxygen sublattice sensitively probed by Raman spectroscopy in contrast to powder X-ray diffraction techniques. The low-frequency mode can be related to the nanoparticle vibration as an elastic isotropic sphere motion. The pressure-induced shift of this mode allows for the constraining of the mechanical properties data reported in the literature.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.