Related papers: Theoretical specific heat, and thermal conductivit…
Thermal and electric conductivities are calculated for degenerate electrons scattered by phonons in a crystal made of atomic nuclei. The exact phonon spectrum and the Debye--Waller factor are taken into account. Monte Carlo calculations are…
The emergence of symmetry-breaking orders such as ferromagnetism and the weak interlayer bonding in van der Waals materials, offers a unique platform to engineer novel heterostructures and tune transport properties like thermal…
Motivated by the classical picture of heat flow we construct a stationary temperature gradient in a relativistic microscopic transport model. Employing the relativistic Navier-Stokes ansatz we extract the heat conductivity {\kappa} for a…
Specific heat of phonon cavities is investigated in order to analyse the effect of phonon confinement on thermodynamic properties. The specific heat of free standing very thin SiN membranes in the low dimensional limit is measured down to…
In molecular-based quantum-spin-liquid candidate EtMe$_3$Sb[Pd(dmit)$_2$]$_2$ with two-dimensional $S$=1/2 triangular lattice, a finite residual linear term in the thermal conductivity, $\kappa_0/T\equiv\kappa/T (T \rightarrow 0)$, has been…
Recent results on theoretical studies of heat conduction in low-dimensional systems are presented. These studies are on simple, yet nontrivial, models. Most of these are classical systems, but some quantum-mechanical work is also reported.…
Allotropes of carbon, such as diamond and graphene, are among the best conductors of heat. We monitored the evolution of thermal conductivity in thin graphite as a function of temperature and thickness and found an intimate link between…
The lattice thermal conductivity ($\kappa_{\rm L}$) of PbTiO$_3$ (PTO) is estimated using a combination of {\em ab initio} calculations and semiclassical Boltzmann transport equation. The computed $\kappa_{\rm L}$ is remarkably low, nearly…
I estimate maximum thermal conductivity $\kappa$ of a perfectly aligned bundle of single wall carbon nanotubes. Each row of aligned nanotubes has a discrete structure. It consists of segments of nanotubes with length $L$. The spacing…
In recent years, nanostructuring of dielectric and semiconducting crystals has enhanced controllability of their thermal conductivity. To carry out computational material search for nanostructured materials with desirable thermal…
The thermal Hall effect, which arises when heat flows transverse to an applied thermal gradient, has become an important observable in the study of quantum materials. Recent experiments found a large thermal Hall conductivity $\kappa_{xy}$…
The thermal conductivity $\kappa$ of a material is an important parameter in many different applications. Optimization strategies of $\kappa$ often require insight into the dominant phonon scattering processes of the material under study.…
We study heat transport in quasi-one-dimensional spin-chain systems by considering the model of one-dimensional bosonic spin excitations interacting with three-dimensional phonons and impurities in the limit of weak spin-lattice coupling…
Thermal conductivity is a critical material property in numerous applications, such as those related to thermoelectric devices and heat dissipation. Effectively modulating thermal conductivity has become a great concern in the field of heat…
Based on Zhang and Li's molecular dynamics calculations, the heat conductivity ($\kappa$) of metallic single-wall Carbon nanotubes (SNTs) was incorrectly concluded as mainly influenced by the radius. Apart from that, their isotope effect…
Thermal conductivity coefficient $\kappa$ measures the ability of a material to conduct a heat current. In particular, $\kappa$ is an important property that often dictates the usefulness of a material over a wide range of environmental…
We extend recent \textit{ab initio} calculations of the electronic band structure and the phonon dispersion relations of rhombohedral GeTe to calculations of the density of phonon states and the temperature dependent specific heat. The…
The thermal conductivities ($\kappa$) of bulk and thin-film $\alpha$-Al$_2$O$_3$ are calculated from first principles using both the local density approximation (LDA), and the generalized gradient approximation (GGA) to exchange and…
The ultralow thermal conductivity $\kappa$ observed experimentally in intentionally roughened silicon nanowires (SiNWs) is reproduced in phonon Monte Carlo simulations with exponentially correlated real-space rough surfaces similar to…
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…