相关论文: Tunneling and rattling in clathrate crystal

Lattice effects in a cerium based clathrate compound Ce_3Pd_20Ge_6 with a cubic Cr_23C_6-type structure have been investigated by ultrasonic and thermal expansion measurements. Elastic softenings of (C_11-C_12)/2 and C_44 proportional to…

Lattice thermal conductivities $\kappa_{\rm L}$ of type-I clathrates encapsulating "off-center" guest atoms behave in a way that is sharply different from those of conventional crystals such as on-center type-I clathrates. The latter…

We show that the distinct differences of low-lying THz-frequency dynamics between type-I clathrates with on-center and off-center guest ions naturally follow from a theoretical model taking into account essential features of the dynamics of…

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…

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…

The elastic properties of a filled skutterudite PrOs_4Sb_{12} with a heavy Fermion superconductivity at T_C=1.85 K have been investigated. The elastic softening of (C_{11}-C_{12})/2 and C_{44} with lowering temperature down to T_C indicates…

Relaxor behavior and lattice dynamics have been studied for a single crystal of K$_{1-x}$Li$_x$TaO$_3$ $(x=0.05)$, where a small amount of a Ca impurity ($\sim 15$~ppm) was incorporated. The dielectric measurements revealed Debye-like…

Low-energy rattling modes and their effects on superconductivity are studied in the cage compound GaxV2Al20. A series of polycrystalline samples of 0 < x =< 0.6 are examined through resistivity, magnetic susceptibility, and heat capacity…

The crystal structure of barium-germanium clathrate Ba6Ge25 was studied using neutron powder diffraction in the temperature range 20-300K. The compound was found to be cubic (S.G. P4_1 23) in the entire temperature range. However, the…

Cyclotron resonance of two-dimensional electrons is studied at low temperatures down to 0.4 K for a high-mobility Si/SiGe quantum well which exhibits a metallic temperature dependence of dc resistivity $\rho$. The relaxation time $\tau_{\rm…

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…

A solid with larger sound speeds exhibits higher lattice thermal conductivity (k_{lat}). Diamond is a prominent instance where its mean sound speed is 14400 m s-1 and k_{lat} is 2300 W m-1 K-1. Here, we report an extreme exception that CuP2…

Recent discoveries of materials with ultra-low thermal conductivity open a pathway to significant developments in the field of thermoelectricity. Here, we conduct a comparative study of three chemically similar antimonides to establish the…

The present controversy over the origin of glasslike thermal conductivity observed in certain crystalline materials is addressed by studies on single-crystal x-ray diffraction, thermal conductivity k(T) and specific heat Cp(T) of…

We have performed ab initio molecular dynamics (MD) simulations to study the alkali-metal dynamics in the Al-doped (KAl0.33W1.67O6 and RbAl0.33W1.67O6) and undoped (KW2O6 and RbW2O6) defect pyrochlore tungstates. The K atoms exhibit novel…

On approaching the glass transition, the microscopic kinetic unit spends increasing time rattling in the cage of the first neighbours whereas its average escape time, the structural relaxation time $\tau_\alpha$, increases from a few…

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…

Rattling-induced superconductivity in the beta-pyrochlore oxide RbOs2O6 is investigated under high pressures up to 6 GPa. Resistivity measurements in a high-quality single crystal show that the superconducting transition temperature Tc…

Cr2Ge2Te6 (CrGT) is known as an intrinsic ferromagnetic semiconductor and a promising candidate for phase-change memory applications. In amorphous CrGT, Cr atoms form non-defective octahedral motifs with Te atoms, similar to those in the…

The impact of Ge vacancies on the low-temperature lattice dynamics of single-crystalline GeTe was investigated through a comparative study of two off-stoichiometric samples: Ge$_{0.8}$Te (S$_1$) and Ge$_{0.88}$Te (S$_2$). X-ray diffraction…