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Interface phonon modes that are generated by several atomic layers at the heterointerface play a major role in the interface thermal conductance for nanoscale high-power devices such as nitride-based high-electron-mobility transistors and…

The thermal transport across metal-insulator interface can be characterized by electron-phonon interaction through which an electron lead is coupled to a phonon lead if phonon-phonon coupling at the interface is very weak. We investigate…

Materials Science · Physics 2013-10-17 Lifa Zhang , Jing-Tao Lü , Jian-Sheng Wang , Baowen Li

The ab-initio theory of charge transport in semiconductors typically employs the lowest-order perturbation theory in which electrons interact with one phonon (1ph). This theory is accepted to be adequate to explain the low-field mobility of…

Materials Science · Physics 2023-02-08 Benjamin Hatanpää , Alexander Y. Choi , Peishi S. Cheng , Austin J. Minnich

Interface impedes heat flow in heterostructures and the interfacial thermal resistance (ITR) has become a critical issue for thermal dissipation in electronic devices. To explore the mechanism leading to the ITR, in this work, the dynamic…

Applied Physics · Physics 2023-06-28 Quanjie Wang , Jie Zhang , Vladimir Chernysh , Xiangjun Liu

We study thermal transport through Pt nanowires that bridge planar contacts as a function of wire length and vibrational frequency of the contacts. When phonons in the contacts have lower average frequencies than those in the wires thermal…

Mesoscale and Nanoscale Physics · Physics 2015-06-11 Ya Zhou , Alejandro Strachan

We calculate the thermal conductivity of free-standing silicene using the phonon Boltzmann transport equation within the relaxation time approximation. In this calculation, we investigate the effects of sample size and different scattering…

Mesoscale and Nanoscale Physics · Physics 2018-04-18 M. Barati , T. Vazifehshenas , T. Salavati-fard , M. Farmanbar

Varying the thermal boundary conductance at metal-dielectric interfaces is of great importance for highly integrated electronic structures such as electronic, thermoelectric and plasmonic devices where heat dissipation is dominated by…

Applied Physics · Physics 2020-12-08 S. M. Oommen , S. Pisana

Previous researches only reported very small interfacial thermal resistances at room temperature due to limitations in sample combinations and methods. Taking cognizance of the importance of mismatched phonon structures, we report values up…

Materials Science · Physics 2019-04-30 Yan Yin , Busheng Wang , Jin Chen , Jiyong Yao , Wenlong Wang , Li Wang , Huaizhou Zhao , Wuming Liu , Xuedong Bai

The effect of electron-phonon scattering processes over the thermoelectric properties of extrinsic graphene was studied. Electrical and thermal resistivity, as well as the thermopower, were calculated within the Bloch theory approximations.…

Mesoscale and Nanoscale Physics · Physics 2012-08-02 Enrique Muñoz

Inelastic phonon scattering in graphene field-effect transistors (FETs) is studied by numerically solving the Boltzmann transport equation in three dimensional real and phase spaces (x, kx, ky). A kink behavior due to ambipolar transport…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Jyotsna Chauhan , Jing Guo

We develop a computational framework, based on the Boltzmann transport equation, with the ability to compute the thermal transport in nanostructured materials of any geometry using as the only input the bulk thermal conductivity…

Mesoscale and Nanoscale Physics · Physics 2014-10-20 Giuseppe Romano , Jeffrey C. Grossman

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

Thermal transport in the Si/SiO$_2$ multishell nanotubes is investigated theoretically. The phonon energy spectra are obtained using the atomistic Lattice Dynamics approach. Thermal conductivity is calculated using the Boltzmann transport…

Materials Science · Physics 2021-04-30 C. Isacova , A. Cocemasov , D. L. Nika , V. M. Fomin

We determine the size effect on the lattice thermal conductivity of nanoscale wire and multilayer structures formed in and by some typical semiconductor materials, using the Boltzmann transport equation and focusing on the Knudsen flow…

Materials Science · Physics 2009-11-11 Eleni Ziambaras , Per Hyldgaard

One of the key requirements for good thermoelectric materials is a low lattice thermal conductivity. Here we present a combined neutron scattering and theoretical investigation of the lattice dynamics in the type I clathrate system…

We theoretically investigate the thermal boundary conductance across metal-nonmetal interfaces in the presence of the electron-phonon coupling not only in metal but also at interface. The thermal energy can be transferred from metal to…

Materials Science · Physics 2016-02-11 Mengjie Li , Yuanyuan Wang , Jun Zhou , Jie Ren , Baowen Li

We study the nonlinear interfacial thermal transport across atomic junctions by the quantum self-consistent mean field (QSCMF) theory based on nonequilibrium Green's function approach; the QSCMF theory we propose is very precise and matches…

Statistical Mechanics · Physics 2013-10-15 Lifa Zhang , Juzar Thingna , Dahai He , Jian-Sheng Wang , Baowen Li

We perform an ab initio computational investigation of the electronic and thermoelectric transport properties of one of the best performance half-Heusler (HH) alloys, NbFeSb. We use Boltzmann Transport equation while taking into account the…

Materials Science · Physics 2025-10-28 Bhawna Sahni , Yao Zhao , Zhen Li , Rajeev Dutt , Patrizio Graziosi , Neophytos Neophytou

A unified understanding of interfacial thermal transport is missing due to the complicated nature of interfaces which involves complex factors such as interfacial bonding, interfacial mixing, surface chemistry, crystal orientation,…

We present a calculation of the lattice thermal conductivity of Si-Ge nanowires (NWs), based on solving the Boltzmann transport equation by the Monte Carlo method of sampling the phonon mean free paths. We augment the previous work with the…

Mesoscale and Nanoscale Physics · Physics 2016-11-15 M. Upadhyaya , Z. Aksamija