相关论文: NMR relaxation and rattling phonons in type-I Ba8G…

Anharmonic guest atom oscillation has direct connection to the thermal transport and thermo- electric behavior of type-I Ba8Ga16Sn30 clathrates. This behavior can be observed through several physical properties, with for example the heat…

We calculate the temperature dependence of NMR relaxation rate and electrical resistivity for coupling to a local, strongly anharmonic phonon mode. We argue that the two-phonon Raman process is dominating NMR relaxation. Due to the strong…

The anharmonic phonon properties of type-I filled inorganic clathrates Ba8 Ga16 Ge30 and Sr8 Ga16 Ge30 are obtained from the first-principles calculations by considering the temperature-dependent sampling of the potential energy surface and…

We have investigated optical conductivity spectra of $n$- and $p$-type Ba$_8$Ga $_{16}$Sn$_{30}$ ($\alpha$-BGS) with type-VIII clathrate structure, at temperatures from 296\,K down to 6\,K with a terahertz time-domain spectrometer…

We investigate the role of rattling guest atoms on the lattice thermal-conductivity of a type-I clathrate Ba$_{8}$Ga$_{16}$Ge$_{30}$ by first-principles lattice dynamics. Comparing phonon properties of filled and empty clathrates, we show…

A series of infrared-active optical phonons have been detected in type-I clathrate Ba$_8$Ga$_{16}$Ge$_{30}$ by terahertz time-domain spectroscopy. The conductivity spectra with the lowest-lying peaks at 1.15 and 1.80 THz are identified with…

We use vibrational dynamical mean-field theory (VDMFT) to study the vibrational structure of type-I clathrate solids, specifically X$_8$Ga$_{16}$Ge$_{30}$, where X=Ba,Sr. These materials are cage-like chemical structures hosting loosely…

We calculate the NMR relaxation rate due to quadrupolar coupling of the nucleus to a local, strongly anharmonic phonon mode. As a model potential for a rattling motion we consider a square-well potential. We calculate the free phonon…

In the search for high-performance thermoelectrics, materials such as clathrates have drawn attention due to having both glass-like low phonon thermal conductivity and crystal-like high electrical conductivity. Ba$_{8}$Ga$_{16}$Ge$_{30}$…

We present $^{75}$As nuclear magnetic resonance spin-lattice and spin-spin relaxation rate data in Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ and Ba(Fe$_{1-x}$Cu$_x$)$_2$As$_2$ as a function of temperature, doping and magnetic field. The relaxation…

We report nuclear magnetic resonance studies on the beta-pyrochlore oxide superconductor KOs2O6. The nuclear relaxation at the K sites is entirely caused by fluctuations of electric field gradient, which we ascribe to highly anharmonic low…

We report the electrical resistivity, Hall coefficient, thermoelectric power, specific heat, and thermal conductivity on single crystals of the type-VIII clathrate Ba8Ga16Sn30 grown from Sn-flux. Negative S and R_H over a wide temperature…

We investigate the role of the quartic anharmonicity in lattice dynamics and thermal transport of type-I clathrate Ba$_{8}$Ga$_{16}$Ge$_{30}$ based on \textit{ab initio} self-consistent phonon calculations. We show that the strong quartic…

Effects of strong phonon anharmonicity of a type-I clathrate Ba$_{\rm 8}$Ga$_{\rm 16}$Sn$_{\rm 30}$ induced by quadruple-well potential of guest atoms were investigated. Phonon transport including coherent interbranch component was analyzed…

One of the key requirements for good thermoelectric materials is a low lattice thermal conductivity. Here we present a combined neutron scattering and theoretical investigation of the lattice dynamics in the type I clathrate system…

The optical conductivity spectra of the rattling phonons in the clathrate Ba$_8$Ga$_{16}$Ge$_{30}$ are investigated in detail by use of the terahertz time-domain spectroscopy. The experiment has revealed that the lowest-lying vibrational…

In the filled Ga/Ge clathrate, Eu and Sr are off-center in site 2 but Ba is on-center. All three filler atoms (Ba,Eu,Sr) have low temperature Einstein modes; yet only for the Eu and Sr systems is there a large dip in the thermal…

Type-I clathrate compounds have attracted a great deal of interest in connection with the search for efficient thermoelectric materials. These compounds constitute networked cages consisting of nano-scale tetrakaidecahedrons (14 hedrons)…

With a terahertz time-domain spectrometer (0.3 - 3.0 THz) we have measured the optical conductivity of the type-I clathrate Ba$_8$Ga$_{16}$Sn$_{30}$ at temperatures from 300 K down to 7 K. Independent six spectra superimposed on the Drude…

The ternary semiconductor AgInTe$_2$ is a thermoelectric material with chalcopyrite-type structure that transforms reversibly into a rocksalt-type structure under high pressure. Nuclear magnetic resonance (NMR) is considered to provide…