Related papers: Phonons and Anisotropic Thermal Expansion Behaviou…
While thermal anisotropicity is a desirable materials property for many applications, including transverse thermoelectrics and thermal management in electronic devices, it remains elusive in practical natural compounds. In this work, we…
Recent studies on different topological materials in condensed matter physics have provided the evidence of topological nature for bosonic particle like phonons by performing various theoretical calculations and experimental observations.…
A definition of the Gr\"uneisen parameters for anisotropic materials is derived based on the response of phonon frequencies to uniaxial stress perturbations. This Gr\"uneisen model relates the thermal expansion in a given direction…
In this theoretical study, we investigate the origins of the very low thermal conductivity of tin selenide (SnSe) using ab-initio calculations. We obtained high-temperature lattice thermal conductivity values that are close to those of…
Metallic transition-metal nitrides (TMNs) are promising conductive ceramics for many applications, whose thermal transport is of great importance in device design. It is found metallic TiN and HfN hold anomalous thermal transport behaviors…
The thermoelectric properties of the three pyrite-type IIB-VIA2 dichalcogenides (ZnS2, CdS2 and CdSe2) are systematically investigated and compared with those of the prototype ZnSe2 in order to optimize their thermoelectric properties.…
$N$-layer transition metal dichalcogenides provide a unique platform to investigate the evolution of the physical properties between the bulk (three dimensional) and monolayer (quasi two-dimensional) limits. Here, using high-resolution…
We report the synthesis and thermoelectric transport properties of As-doped layered pnictogen oxyselenides NdO0.8F0.2Sb1-xAsxSe2 (x < 0.7), which are predicted to show high-performance thermoelectric properties based on first-principles…
We report here first extensive measurements of the temperature dependence of phonon density of states of BaFe2As2, the parent compound of the newly discovered FeAs-based superconductors, using inelastic neutron scattering. The experiments…
We present a temperature- and polarization-resolved phononic and electronic Raman scattering study in combination with the first-principles calculations on the kagome metal Ni$_3$In with anisotropic transport properties and non-Fermi liquid…
The local atomic structure and lattice dynamics of two isostructural layered transition metal dichalcogenides (TMDs), 1T-TiSe$_2$ and 1T-VSe$_2$, were studied using temperature-dependent X-ray absorption spectroscopy at the Ti, V, and Se…
Probing phonons, quasi-particle excitations and their coupling has enriched our understanding of these 2D materials and proved to be crucial for developing their potential applications. Here, we report comprehensive temperature, 4-330 K,…
The transition-metal dicyanides M(CN)$_2$ (M = Zn, Cd) are amongst the most important negative thermal expansion (NTE) materials known, favoured for the magnitude, isotropy, and thermal persistence of the NTE behaviour they show. The…
We investigate the thermal behavior of the (111) surface of silver, using phonon frequencies obtained from ab initio total energy calculations, and anharmonic effects treated within a quasiharmonic approximation. Our results reproduce the…
Predictions of the anisotropic coefficients of thermal expansion are needed to not only compare to experimental measurement, but also as input for macroscopic modeling of devices which operate over a large temperature range. While most…
All phonons in a single crystal of NaBr were measured by inelastic neutron scattering at temperatures of 10, 300 and 700 K. Even at 300 K the phonons, especially the longitudinal-optical (LO) phonons, showed large shifts in frequencies, and…
We thoroughly investigate the microscopic mechanisms of the thermal transport in orthorhombic \textit{o}-CsCu$_5$S$_3$ by integrating the first-principles-based self-consistent phonon calculations (SCP) with the linearized Wigner transport…
Although extensive experimental and theoretical works have been conducted to understand the ballistic and diffusive phonon transport in nanomaterials recently, direct observation of temperature and thermal nonequilibrium of different phonon…
Strain tuning is a powerful experimental method in probing correlated electron systems. Here we study the strain response of the lattice dynamics and electronic structure in semiconductor Ta$_2$NiS$_5$ by polarization-resolved Raman…
High bias electrical transport characteristics of freely suspended metallic single-walled carbon nanotubes (SWNTs) are investigated at 250-400K in vacuum and various gases. Self-heating is exploited to examine the temperature dependence of…