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Topological Weyl semimetals represent a novel class of quantum materials that exhibit remarkable properties arising from their unique electronic structure. In this work, we employ state-of-the-art ab initio methods to investigate the role…

Materials Science · Physics 2025-12-05 Zhe Liu , Shashi B. Mishra , Jae-Mo Lihm , Samuel Poncé , Elena R. Margine

Electrical resistivity in good metals, particularly noble metals such as gold (Au), silver (Ag), or copper, increases linearly with temperature ($T$) for $T > \Theta_{\mathrm{D}}$, where $\Theta_{\mathrm{D}}$ is the Debye temperature. This…

We theoretically study the heat flux between electrons and phonons in a thin metallic film embedded in a suspended dielectric slab (called a \textit{membrane}, in accordance with the established nomenclature), forming a layered structure.…

Mesoscale and Nanoscale Physics · Physics 2023-07-12 D. V. Anghel , M. Dolineanu , J. Bergli , I. J. Maasilta

Fine-tuning the functional properties of nanomaterials is crucial for technological applications. Superlattices, characterized by periodic repetitions of two or more materials in different dimensions, have emerged as a promising area of…

Using the nonequilibrium Green's function (NEGF) formalism, we propose a microscopic theory for near-field heat transfer between charged metal plates focusing on the Coulomb interactions. Tight-binding models for the electrons are coupled…

Mesoscale and Nanoscale Physics · Physics 2017-06-21 Jian-Sheng Wang , Jiebin Peng

We measure the temperature distribution in a biased single-layer graphene transistor using Raman scattering microscopy of the 2D-phonon band. Peak operating temperatures of 1050 K are reached in the middle of the graphene sheet at 210 KW…

With the rapid advances in the development of nanotechnology, nowadays, the sizes of elementary unit, i.e. transistor, of micro- and nanoelectronic devices are well deep into nanoscale. For the pursuit of cheaper and faster nanoscale…

Materials Science · Physics 2018-04-03 Xiaohan Shen

We present ab-initio transport calculations for molecular junctions that include graphene as a protecting layer between a single molecule and gold electrodes. This vertical setup has recently gained significant interest in experiment for…

Mesoscale and Nanoscale Physics · Physics 2015-12-15 Falco Hüser , Gemma C. Solomon

The equilibration of electronic carriers in metals after excitation by an ultra-short laser pulse provides an important class of non-equilibrium phenomena in metals and allows measuring the effective electron-phonon coupling parameter.…

Materials Science · Physics 2022-10-06 Peter Kratzer , Laurenz Rettig , Irina Yu. Sklyadneva , Evgueni V. Chulkov , Uwe Bovensiepen

At low temperatures when the phonon modes are effectively frozen, photon transport is the dominating mechanism of thermal relaxation in metallic systems. Starting from a microscopic many-body Hamiltonian, we develop a nonequilibrium Green's…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Teemu Ojanen , Tero T. Heikkila

The mechanism of heat transfer and the contribution of electron-phonon coupling to thermal conductance of a metal-semiconductor interface remains unclear in the present literature. We report ab initio simulations of a technologically…

Materials Science · Physics 2015-04-07 Sridhar Sadasivam , Umesh V. Waghmare , Timothy S. Fisher

We study nondiffusive thermal transport by phonons at small distances within the framework of the Boltzmann transport equation (BTE) and demonstrate that the transport is significantly affected by the distribution of phonons emitted by the…

Mesoscale and Nanoscale Physics · Physics 2017-10-05 Vazrik Chiloyan , Samuel Huberman , Alexei A. Maznev , Keith A. Nelson , Gang Chen

We demonstrate that non-diffusive, fluid-like heat transport, such as heat backflowing from cooler to warmer regions, can be induced, controlled, and amplified in extreme thermal conductors such as graphite and hexagonal boron nitride. We…

Materials Science · Physics 2025-10-22 Jan Dragašević , Bogdan Rajkov , Michele Simoncelli

Heating and heat conduction in molecular junctions are considered within a general NEGF formalism. We obtain a unified description of heating in current carrying molecular junctions as well as the electron and phonon contributions to the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Michael Galperin , Mark A. Ratner , Abraham Nitzan

Diamond is studied by path integral molecular dynamics simulations of the atomic nuclei in combination with a tight-binding Hamiltonian to describe its electronic structure and total energy. This approach allows us to quantify the influence…

Materials Science · Physics 2009-11-11 Rafael Ramirez , Carlos P. Herrero , Eduardo R. Hernandez

Anisotropic-gap and two-band effects smear out the superconducting transition (Tc) in literature reported thermal conductivity of MgB2, where large electronic contributions also suppress anomaly-manifestation in their negligible…

Superconductivity · Physics 2017-07-27 A. M. Awasthi , S. Bhardwaj , V. P. S. Awana , A. Figini Albisetti , G. Giunchi , A. V. Narlikar

We study the heat transfer between graphene and amorphous SiO2. We include both the heat transfer from the area of real contact, and between the surfaces in the non-contact region. We consider the radiative heat transfer associated with the…

Soft Condensed Matter · Physics 2010-07-23 B. N. J. Persson , H. Ueba

Among all materials, mono-crystalline diamond has one of the highest measured thermal conductivities, with values above 2000 W/m/K at room temperature. This stems from momentum-conserving `normal' phonon-phonon scattering processes…

Through advanced quantum mechanical simulations combining electron and phonon transport from first-principles self-heating effects are investigated in n-type transistors with a single-layer MoS2, WS2, and black phosphorus as channel…

Mesoscale and Nanoscale Physics · Physics 2018-12-06 Christian Stieger , Aron Szabo , Teute Bunjaku , Mathieu Luisier

Current theoretical approaches to the analysis of radiative heat exchange at the nanoscale are based on Rytov's stochastic electrodynamics. However, this approach falls short in the description of microscale energy transfer since it…

Mesoscale and Nanoscale Physics · Physics 2011-06-22 Luciano C. Lapas , Agustín Pérez-Madrid , J. Miguel Rubí