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We present a first-principles study of the temperature- and density-dependent intrinsic electrical resistivity of graphene. We use density-functional theory and density-functional perturbation theory together with very accurate Wannier…

Classical electrodynamics has been revisited with a view to recast the electrical parameters for planar transport in 2-dimensional (2-D) materials like graphene. In this attempt a new line integral, named transverse line integral, with…

Mesoscale and Nanoscale Physics · Physics 2018-09-21 Gananath Dash

The phonon thermal conductance of sub-nanometric vacuum gaps between two in-plane nanoribbons of two-dimensional materials (graphene and silicene) is analyzed using the atomistic Green's function method and by employing the Tersoff and…

Mesoscale and Nanoscale Physics · Physics 2024-09-18 Md Jahid Hasan Sagor , Sheila Edalatpour

With the increasing miniaturization of electronic components and the need to optimize thermal management, it has become essential to understand heat transport at metal/semiconductor interfaces. While it has been recognized decades ago that…

The ability to control heat transport with electrical signals has been an outstanding challenge due to the lack of efficient electrothermal materials. Previous attempts have mainly concentrated on phase-change and layered materials and…

We theoretically study the electrical, thermal and thermoelectric transport properties of graphene nanoribbons under torsional deformations. The modelling follows a nonequilibrium Green's function approach in the ballistic transport regime,…

Mesoscale and Nanoscale Physics · Physics 2017-06-07 Aleandro Antidormi , Miquel Royo , Riccardo Rurali

We study the interplay between long-range electron-phonon and electron-electron interactions in electrostatically doped two-dimensional semiconductors, including interlayer couplings in van der Waals heterostructures. We evaluate the…

Mesoscale and Nanoscale Physics · Physics 2026-04-03 Francesco Macheda , Thibault Sohier

Electron--phonon (e--ph) coupling governs electrical resistivity, hot-carrier cooling, and critically, thermal transport in solids. Recent first-principles advances now predict e--ph limited thermal conductivity from d-band metals and…

Materials Science · Physics 2025-11-21 Sina Kazemian , Giovanni Fanchini

Two-dimensional (2D) materials have shown great potential in applications as transistors, where thermal dissipation becomes crucial because of the increasing energy density. Although thermal conductivity of 2D materials has been extensively…

Materials Science · Physics 2024-05-06 Yujie Quan , Bolin Liao

In this work, we use a combination of first-principles calculations under the density functional theory framework and heat transport simulations using the atomistic Green's function (AGF) method to quantitatively predict the contribution of…

Mesoscale and Nanoscale Physics · Physics 2017-03-01 Sridhar Sadasivam , Ning Ye , James Charles , Kai Miao , Joseph P. Feser , Tillmann Kubis , Timothy S. Fisher

We calculate the temperature dependent conductivity of graphene in the presence of randomly distributed Coulomb impurity charges arising from the temperature dependent screening of the Coulomb disorder without any phonons. The purely…

Mesoscale and Nanoscale Physics · Physics 2009-05-22 E. H. Hwang , S. Das Sarma

We study the electron thermal transport in granular metals at large tunnel conductance between the grains, $g_T \gg 1$ and not too low a temperature $T > g_T\delta$, where $\delta$ is the mean energy level spacing for a single grain. Taking…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 I. S. Beloborodov , A. V. Lopatin , F. W. J. Hekking , Rosario Fazio , V. M. Vinokur

Accurate measurements and physical understanding of thermal boundary resistance (R) of two-dimensional (2D) materials are imperative for effective thermal management of 2D electronics and photonics. In previous studies, heat dissipation…

Applied Physics · Physics 2022-04-15 Weidong Zheng , Connor J. McClellan , Eric Pop , Yee Kan Koh

There has been great interest in two-dimensional materials, beyond graphene, for both fundamental sciences and technological applications. Silicene, a silicon counterpart of graphene, has been shown to possess some better electronic…

Materials Science · Physics 2015-01-13 Xiaokun Gu , Ronggui Yang

Metal/two-dimensional carbon junctions are characterized by using a nanoprobe in an ultrahigh vacuum environment. Significant differences were found in bias voltage (V) dependence of differential conductance (dI/dV) between edge- and…

Mesoscale and Nanoscale Physics · Physics 2012-02-06 Yihong Wu , Ying Wang , Jiayi Wang , Miao Zhou , Aihua Zhang , Chun Zhang , Yanjing Yang , Younan Hua , Baoxi Xu

First-principles density-functional calculations are performed to investigate the thermal transport properties in graphene nanoribbons (GNRs). The dimensional crossover of thermal conductance from one to two dimensions (2D) is clearly…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 Jian Wang , Xiao-Ming Wang , Yun-Fei Chen , Jian-Sheng Wang

The thermal interface conductance between Al and Si was simulated by a non-equilibrium molecular dynamics method. In the simulations, the coupling between electrons and phonons in Al are considered by using a stochastic force. The results…

Studies of the structural, electronic, and optical characteristics of the interfaces between graphene and ZnO polar surfaces is carried out using first-principles simulations. At the interface, a strong van der Waals force is present, and…

Materials Science · Physics 2023-05-23 H. D. Etea , K. N. Nigussa

Thermal boundary conductance at a metal-dieletric interface is a quantity of prime importance for heat management at the nanoscale. While the boundary conductance is usually ascribed to the coupling between metal phonons and dielectric…

Mesoscale and Nanoscale Physics · Physics 2015-06-23 J. Lombard , F. Detcheverry , S. Merabia

Electronic cooling in hybrid normal metal-insulator-superconductor junctions is a promising technology for the manipulation of thermal loads in solid state nanosystems. One of the main bottlenecks for efficient electronic cooling is the…