Related papers: A theoretical study of thermal conductivity in sin…
We study the thermal transport properties of three CaF$_{2}$ polymorphs up to a pressure of 30 GPa using first-principle calculations and an interatomic potential based on machine learning. The lattice thermal conductivity $\kappa$ is…
Conventional approaches for modulating thermal conductivity usually rely on structural modifications and therefore cannot achieve reversible in situ regulation. Targeted phonon excitation has recently emerged as a promising strategy for…
We theoretically investigate the impact of the electrothermal flow on the dielectrophoretic separation of single-walled carbon nanotubes (SWNT). The electrothermal flow is observed to control the motions of semiconducting SWNTs in a…
In the present work, thermal transport and energy conversation in two thermoelectrically efficient candidates of Janus SnSSe and SnS$_2$ are investigated within the non-equilibrium Monte Carlo simulation of phonon Boltzmann equation. The…
Charge transport in semiconducting single-walled nanotubes (SWNTs) with Schottky-barrier contacts has been studied at high bias. We observe nearly symmetric ambipolar transport with electron and hole currents significantly exceeding 25…
We study the heat relaxation in current biased metallic films in the regime of strong electron-phonon coupling. A thermal gradient in the direction normal to the film is predicted, with a spatial temperature profile determined by the…
Using the linearized Boltzmann transport equation and perturbation theory, we analyze the reduction in the intrinsic thermal conductivity of few-layer graphene sheets accounting for all possible three-phonon scattering events. Even with…
This paper examines the effect of temperature on the structural stability and mechanical properties of 20 layered (10,10) single walled carbon nanotubes (SWCNTs) under tensile loading using an O(N) tight binding molecular dynamics (TBMD)…
The effect of geometrical confinement, atomic position and orientation of Silicon nanowires (SiNWs) on their thermal properties are investigated using the phonon dispersion obtained using a Modified Valence Force Field (MVFF) model. The…
In this study, a newly pillared black phosphorene hybrid nanostructures (PBP) is constructed with its thermal stability as well as thermal conductivity are studied by performing equilibrium molecular dynamics simulation (EMD). The results…
Boundary-engineering in nanostructures has the potential to dramatically impact the development of materials for high-efficiency conversion of thermal energy directly into electricity. In particular, nanostructuring of semiconductors can…
We present a review of the phonon thermal conductivity of segmented nanowires focusing on theoretical results for Si and Si/Ge structures with the constant and periodically modulated cross-sections. We describe the use of the face-centered…
A theoretical model for the calculation of the phonon-drag thermopower, $S^{g}$, in degenerately doped semiconducting single-wall carbon nanotubes (SWCNTs) is proposed. Detailed calculations of $S^{g}$ are performed as a function of…
We perform classical molecular dynamics simulations to investigate the mechanical compression effect on the thermal conductivity of the single-walled carbon nanotube (SWCNT) forest, in which SWCNTs are closely aligned and parallel with each…
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…
The mineral linarite (PbCuSO$_4$(OH)$_2$) forms a monoclinic structure where a sequence of Cu(OH)$_2$ units forms a spin-$\frac{1}{2}$ chain. Competing ferromagnetic nearest-neighbor ($J_1$) and antiferromagnetic next-nearest-neighbor…
The electronic and transport properties of (10, 0) single-walled carbon nanotube are studied by performing the first-principles calculations and semi-classical Boltzmann theory. It is found that the (10, 0) tube exhibits considerably large…
Efficient heat dissipation to the substrate is crucial for optimal device performance in nanoelectronics. We develop a theory of electronic thermal boundary conductance (TBC) mediated by remote phonon scattering for the single-layer…
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…
A recent study [Rosati, Dolcini, and Rossi, Appl. Phys. Lett. 106, 243101 (2015)] has predicted that, while in semiconducting single-walled carbon nanotubes (SWNTs) an electronic wave packet experiences the typical spatial diffusion of…