相关论文: Size and Stoichiometric Dependence of Thermal Cond…

Two-dimensional transition metal dichalcogenides (TMDCs) are finding promising electronic and optical applications due to their unique properties. In this letter, we systematically study the phonon transport and thermal conductivity of…

In this work, we report thermal conductivity(k) of magnesium telluride (MgTe) with various crystallographic phases such as rocksalt, zincblende, wurtzite and nickel arsenic (NiAs) using density functional theory and Boltzmann transport…

Recently, three-component new fermions in topological semimetal MoP are experimentally observed, which may have potential applications like topological qubits, low-power electronics and spintronics. These are closely related to thermal…

Ultra-wide-band-gap group-III nitrides are of interest for applications in deep-ultraviolet optoelectronics and power electronics. Such devices must be able to efficiently dissipate heat generated from their operation, making the thermal…

Phonon transport of recently-fabricated $\mathrm{Na_2He}$ at high pressure is investigated from a combination of first-principles calculations and the linearized phonon Boltzmann equation within the single-mode relaxation time approximation…

The anisotropic thermal conductivity and the phonon mean free path (mfp) in monoclinic $\beta$-Ga$_2$O$_3$ single crystals and homoepitaxial films of several $\mu$m were determined using the 3$\omega$-method in the temperature range from…

Thermal transport in low-dimensional semiconductors is crucial for advancing thermal management in nanoelectronics, quantum devices, and thermoelectric devices. Recent molecular dynamics (MD) studies have identified a nonmonotonic…

We perform molecular dynamics (MD) simulations with phonon spectral analysis aiming at understanding the two dimensional (2D) thermal transport in suspended and supported graphene. Within the framework of equilibrium MD simulations, we…

Ballistic phonon effects, arising on length scales comparable to the mean-free-path, result in non-diffusive heat flow and alter the thermal properties of materials. Simple theoretical models that accurately capture non-diffusive transport…

Current phonon transport theory based on ground-state calculations has been successful in predicting thermal conductivity at room and medium temperatures but may misrepresent behavior at high temperatures. In this work, we predict the…

We consider contribution to the phonon scattering, in the temperature range of 1K, by the dislocation kinks pinned in the random stress fields in a crystal. The effect of electron-kink scattering on the thermal transport in the normal…

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…

Using the phonon Boltzmann transport formalism and density functional theory based calculations, we show that stanene has a low thermal conductivity. For a sample size of 1$\times$1 $\mu$m$^{2}$ ($L\times W$), the lattice thermal…

The infrared reflectance of the transition metal chalcogenide 1T-TaS2 has been measured at temperatures from 30K to 360K over 30-45,000cm^-1 (4meV-5.5eV). The optical conductivity was obtained by Kramers-Kronig analysis. At 360K only modest…

Nanostructured materials exhibit low thermal conductivity because of the additional scattering due to phonon-boundary interactions. As these interactions are highly sensitive to the mean free path (MFP) of a given phonon mode, MFP…

Non-equilibrium transport and phonon branch-resolved size effects in single-layer graphene materials are studied under a multi-temperature kinetic model, which is developed for capturing the branch-dependent electron-phonon coupling.…

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…

A Stillinger-Weber interatomic potential is parameterized for phosphorene. It well reproduces the crystal structure, cohesive energy and phonon dispersion predicted by first-principles calculations. The thermal conductivity of phosphorene…

Thermal conduction was explored and discussed through a combined theoretical and simulation approach in this work. The thermal conductivity k of polycrystalline graphene was calculated by molecular dynamics simulations based on a hexagonal…

The temperature and volume dependences of the thermal conductivity of solid Kr(1-x)Xe(x)solution are analyzed within the model in which heat is transferred by mobile low-frequency phonons; above the phonon mobility edge this is done by…