相关论文: Pushing thermal conductivity to its lower limit in…
The lead-free halide double perovskite class of materials offers a promising venue for resolving issues related to toxicity of Pb and long-term stability of the lead-containing halide perovskites. We present a first-principles study of the…
The phonon thermal transport properties of eight ternary intermetallic semiconductors are investigated by accounting for higher-order four-phonon scattering, phonon renormalization, and multi-channel thermal transport. The commonly used…
Pure amorphous solids are traditionally considered to set the lower bound of thermal conductivity due to their disordered atomic structure that impedes vibrational energy transport. However, the lower limits for thermal conductivity in…
The inelastic nature of 3-phonon processes is investigated within the framework of perturbation theory and linearized Boltzmann Transport Equation. By considering the energy conservation rule governing this type of interactions in a…
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…
Introducing hierarchical disorder from multiple defects into materials through nanostructuring is one of the most promising directions to achieve extremely low thermal conductivities and thus improve thermoelectric performance. The success…
DFT and AIMD are used to investigate the structural, stability, electronic, thermal, and optical properties of the quasi-2D C2N2O structure. The structure exhibits thermal and energy stability, signifying robustness under ambient…
Superatomic compounds, composed of atomic clusters interwoven by weak chemical bonds exhibit large anharmonicity vibrations, are excellent candidates for ultralow thermal conductivity (\k{appa}) materials. However, growing bulk superatomic…
We take an ordered, anharmonic crystal in the form of slab geometry in three dimensions. Apart from attaching baths of Langevin type to the extreme surfaces, we also attach baths of same type to the intermediate surfaces of the slab to…
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…
A strong increase of the thermal conductivity is observed at the phase transition (Tc =18.2 K) in Cu2Te2O5Cl2 single crystal. This behavior is compared with that of spin- Peierls system NaV2O5, where similar experimental observation has…
Ambient pressure studies on high purity single crystals of the stoichiometric 4f-electron metal CeNi2Ge2 reveal anomalous low temperature forms of the resistivity which challenge our understanding of the metallic state. Comparisons are made…
We investigate anomalous electrical transport properties of a Ni-TiO2 hybrid system displaying a unique nanostructured morphology. The system undergoes an insulator to metal transition below 150 K with a low temperature metallic phase that…
It has been argued that stanene has lowest lattice thermal conductivity among 2D group-IV materials because of largest atomic mass, weakest interatomic bonding, and enhanced ZA phonon scattering due to the breaking of an out-of-plane…
Extensive inelastic neutron scattering measurements of phonons on a single crystal of CaFe2As2 allowed us to establish a fairly complete picture of phonon dispersions in the main symmetry directions. The phonon spectra were also calculated…
Mixed anion halide-chalcogenide materials have attracted considerable attention due to their exceptional optoelectronic properties, making them promising candidates for various applications. Among these, CuBiSeCl_2 has recently been…
We studied the correlation among structure and transport properties and superconductivity in the different $A_x$Fe$_2$Se$_2$ single crystals ($A$ = K, Rb, and Cs). Two sets of (00$l$) reflections are observed in the X-ray single crystal…
Semiconducting half- and, to a lesser extent, full-Heusler compounds are promising thermoelectric materials due to their compelling electronic properties with large power factors. However, intrinsically high thermal conductivity resulting…
We study heat conduction in one dimensional mass disordered harmonic and anharmonic lattices. It is found that the thermal conductivity $\kappa$ of the disordered anharmonic lattice is finite at low temperature, whereas it diverges as…
We report a study on the thermal conductivity of CuFe$_{1-x}$Ga$_x$O$_2$ ($x =$ 0--0.12) single crystals at temperatures down to 0.3 K and in magnetic fields up to 14 T. CuFeO$_2$ is a well-known geometrically frustrated triangular lattice…