相关论文: Revisiting thermal transport in CuCl: First-princi…
We investigate the anharmonic phonon scattering across a weakly interacting interface by developing a quantum mechanics-based theory. We find that the contribution from anharmonic three-phonon scatterings to interfacial thermal conductance…
Fundamental upper bounds on the electron-phonon interaction strength and superconducting transition temperature $T_c$ in metals are established based on the intrinsic instability of the equilibrium between electrons and the crystal lattice…
Based on first-principles calculations and full iterative solution of the linearized Boltzmann-Peierls transport equation for phonons within three-phonon scattering framework, we characterize the lattice thermal conductivities $\kappa$ of…
It is textbookly regarded that phonons, i.e., an energy quantum of propagating lattice waves, are the main heat carriers in perfect crystals. As a result, in many crystals, e.g., bulk silicon, the temperature-dependent thermal conductivity…
$\beta-Ga_2O_3$ is a promising material candidate for next-generation high power devices even as its low thermal conductivity ($\kappa$) limits utilization due to an inability to sufficiently dissipate heat. Despite its importance, a…
Electron-phonon superconductors at high pressures have displayed the highest values of critical superconducting temperature $T_c$ on record, now rapidly approaching room temperature. Despite the importance of high-$P$ superconductivity in…
We report the measurements of the thermal conductivity ($\kappa$) of iron (Fe) and nickel (Ni) at high pressures and high temperatures. $\kappa$ values are estimated from the temperature measurements across the sample surface in a laser…
Reduction of lattice thermal conductivity ($\kappa_L$) is one of the most effective ways of improving thermoelectric properties. However extraction of $\kappa_L$ from the total measured thermal conductivity can be misleading if Lorenz ($L$)…
We investigate the energy transport in a one-dimensional lattice of oscillators with a harmonic nearest neighbor coupling and a harmonic plus quartic on-site potential. As numerically observed for particular coupling parameters before, and…
Type-I clathrate solids have attracted significant interest due to their ultralow thermal conductivities and subsequent promise for thermoelectric applications, yet the mechanisms underlying these properties are not well understood. Here,…
We have simulated the ultra-high-temperature ceramic zirconium carbide (ZrC) in order to predict electron and phonon scattering properties, including lifetimes and transport. Our predictions of heat and charge conductivity, which extend to…
We calculate the resistivity associated with an Ising-nematic quantum critical point in the presence of disorder and acoustic phonons in the lattice model. We use the memory-matrix transport theory, which has a crucial advantage compared to…
$\alpha$-RuCl3 is a magnetic insulator exhibiting quantum spin liquid phases possibly found in the Kitaev honeycomb model. Much of the effort towards determining Hamiltonian parameters has focused on low magnetic field ordered phases. We…
Ternary pnictides semiconductors with II-IV-V2 stoichiometry hold potential as cost effective thermoelectric materials with suitable electronic transport properties, but their lattice thermal conductivities ($\kappa$) are typically too…
Cross-plane thermal conductivity in homogeneous transition metal dichalcogenides (TMDs) exhibits a strong dependence on twist angle, originating from atomic reconstruction within moir\'e superlattices. This reconstruction redistributes…
The lattice thermal conductivity plays a key role in the performance of thermoelectric materials, where the lower values lead to a higher figure of merit values. Two-dimensional group III-VI monolayers such as InTe are promising materials…
Achieving high thermoelectric performance requires efficient manipulation of thermal conductivity and a fundamental understanding of the microscopic mechanisms of phonon transport in crystalline solids. One of the major challenges in…
We investigate the evolution of the cross-plane thermal conductivity $\kappa$ of superlattices (SLs) as interfaces change from perfectly abrupt to totally intermixed, by using non-equilibrium molecular dynamics simulations in combination…
We demonstrate the coherent transport of thermal energy in superlattices by introducing a microscopic definition of the phonon coherence length. We demonstrate how to distinguish a coherent transport regime from diffuse interface scattering…
Silicon carbide (SiC) is a wide band gap semiconductor with a variety of industrial applications. Among its many useful properties is its high thermal conductivity, which makes it advantageous for thermal management applications. In this…