相关论文: Anomalous strain-dependent thermal conductivity in…
Research on the physical properties of materials at the nanoscale is crucial for the development of breakthrough nanotechnologies. One of the key properties to consider is the ability to conduct heat, i.e., its thermal conductivity.…
Using a combination of accurate density-functional theory and a nonequilibrium Green function's method, we calculate the ballistic thermal conductance characteristics of tensile-strained armchair (AGNR) and zigzag (ZGNR) edge graphene…
The impact of decorated dislocations on the effective thermal conductivity of GaN is investigated by means of equilibrium molecular dynamics simulations via the Green-Kubo approach. The formation of "nanowires" by a few atoms of In in the…
Dislocations, one-dimensional lattice imperfections, are common to technologically important materials such as III-V semiconductors, and adversely affect heat dissipation in e.g., nitride-based high-power electronic devices. For decades,…
Strain gradients, ubiquitous in flexible devices and epitaxial nanostructures, are a major blind spot for thermal transport in \b{eta}-Ga2O3. We establish that strain gradient unlocks a thermal conductivity (k) suppression mechanism…
The observation of novel physical phenomena such as Hofstadter's butterfly, topological currents and unconventional superconductivity in graphene have been enabled by the replacement of SiO$_2$ with hexagonal Boron Nitride (hBN) as a…
In this work, we present a comprehensive investigation of graphene's thermal conductivity using first-principles density functional perturbation theory calculations, with a focus on the phonon and lattice vibrational properties underlying…
By means of numerical simulation, we study in this work the effects of uniaxial strain on transport properties of strained graphene heterojunctions and explore the possibility to achieve good performance of graphene transistors using these…
Penta-graphene (PG) has been identified as a novel 2D material with an intrinsic bandgap, which makes it especially promising for electronics applications. In this work, we use first-principles lattice dynamics and iterative solution of the…
Strain engineering offers unique control to manipulate the electronic band structure of two-dimensional materials (2DMs) resulting in an effective and continuous tuning of the physical properties. Ad-hoc straining 2D materials has…
Thermal conductivity of homogeneous twisted stacks of graphite is found to strongly depend on the misfit angle. The underlying mechanism relies on the angle dependence of phonon-phonon couplings across the twisted interface. Excellent…
The robustness of the macroscopic quantum nature of a superconductor can be characterized by the superfluid stiffness, $\rho_s$, a quantity that describes the energy required to vary the phase of the macroscopic quantum wave function. In…
Deformations in graphene systems are central elements in the novel field of {\it straintronics}. Various strain geometries have been proposed to produce specific properties but their experimental realization has been limited. Because…
We present an investigation of heat transport in gapless graphene-based Ferromagnetic /singlet Superconductor/Ferromagnetic (FG$\mid$SG$\mid$FG) junctions. We find that unlike uniform increase of thermal conductance vs temperature, the…
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…
Decreasing thermal conductivity is important for designing efficient thermoelectric devices. Traditional engineering strategies have focused on point defects and interface design. Recently, dislocations as line defects have emerged as a new…
Two dimensional (2D) materials such as graphene and transition metal dichalcogenides (TMDC) have received extensive research interests and investigations in the past decade. In this research, we report the first experimental measurement of…
Using first-principles density functional theory and determinant quantum Monte Carlo methods, we show that Janus graphene nanoribbons with topological defect arrays ($m=2$) exhibit robust intrinsic ferromagnetism across widths $W=2-6$, with…
In the framework of density functional theory (DFT) calculations we investigate the electronic and thermal properties of porous graphene (PG) structures passivated with halogen atoms as possible candidates for efficient thermoelectric…
Studying thermal transport at the nanoscale poses formidable experimental challenges due both to the physics of the measurement process and to the issues of accuracy and reproducibility. The laser-induced transient thermal grating (TTG)…