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Fundamental insight into lattice dynamics and phonon transport is critical to the efficient manipulation of heat flow, which is one of the appealing thermophysical problems with enormous practical implications. Phosphorene, a novel…

Materials Science · Physics 2018-01-16 Guangzhao Qin , Ming Hu

The electronic and thermoelectric (TE) transport properties of 13 n-type and p-type half-Heusler alloys are computationally examined using Boltzmann transport. The electronic scattering times resulting from all relevant phonon interactions…

Anharmonic lattice vibrations govern the thermal dynamics in materials and present how the atoms interact and how they conduct heat. An indepth understanding of the microscopic mechanism of phonon anharmonicity in condensed systems is…

Materials Science · Physics 2021-12-30 Bin Wei , Qiyang Sun , Chen Li , Jiawang Hong

We present a combined theoretical approach to study the nonequilibrium transport properties of nanoscale systems coupled to metallic electrodes and exhibiting strong electron-phonon interactions. We use the Keldysh Green function formalism…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 R. C. Monreal , F. Flores , A. Martin-Rodero

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 have surveyed the in-plane transport properties of the graphene twist bilayer using (i) a low-energy effective Hamiltonian for the underlying electronic structure, (ii) an isotropic elastic phonon model, and (iii) the linear Boltzmann…

Mesoscale and Nanoscale Physics · Physics 2016-12-21 N. Ray , M. Fleischmann , D. Weckbecker , S. Sharma , O. Pankratov , S. Shallcross

Electron transport in graphene is along the sheet but junction devices are often made by stacking different sheets together in a "side-contact" geometry which causes the current to flow perpendicular to the sheets within the device. Such…

Computational Physics · Physics 2015-04-08 Xiang-Guo Li , Iek-Heng Chu , X. -G. Zhang , Hai-Ping Cheng

Phonon transport across a vacuum gap separating intrinsic silicon crystals is predicted via the atomistic Green's function method combined with first-principles calculations of all interatomic force constants. The overlap of electron wave…

Mesoscale and Nanoscale Physics · Physics 2022-01-14 Takuro Tokunaga , Masao Arai , Kazuaki Kobayashi , Wataru Hayami , Shigeru Suehara , Takuma Shiga , Keunhan Park , Mathieu Francoeur

The Boltzmann transport equation (BTE) has proven indispensable in elucidating quasiballistic heat dynamics. Experimental observations of nondiffusive thermal transients, however, are interpreted almost exclusively through purely diffusive…

Mesoscale and Nanoscale Physics · Physics 2016-11-23 Bjorn Vermeersch

We study the shear and bulk viscosity coefficients as well as the thermal conductivity as arising from the collisions among phonons in superfluid neutron stars. We use effective field theory techniques to extract the allowed phonon…

Solar and Stellar Astrophysics · Physics 2014-12-01 Laura Tolos , Cristina Manuel , Sreemoyee Sarkar , Jaume Tarrus

Twisted bilayer graphene (tBLG) has recently emerged as a platform for hosting correlated phenomena, owing to the exceptionally flat band dispersion that results near interlayer twist angle $\theta\approx1.1^\circ$. At low temperature a…

Strongly Correlated Electrons · Physics 2019-10-03 H. Polshyn , M. Yankowitz , S. Chen , Y. Zhang , K. Watanabe , T. Taniguchi , C. R. Dean , A. F. Young

Developing simplified, but accurate, theoretical approaches to treat heat transport on all length and time scales is needed to further enable scientific insight and technology innovation. Using a simplified form of the Boltzmann transport…

Mesoscale and Nanoscale Physics · Physics 2015-06-23 Jesse Maassen , Mark Lundstrom

The ab initio model for heat propagation is the phonon transport equation, a Boltzmann-like kinetic equation. When two materials are put side by side, the heat that propagates from one material to the other experiences thermal boundary…

Numerical Analysis · Mathematics 2025-10-13 Irene M Gamba , Qin Li , Anjali Nair

Nanostructured materials exhibit low thermal conductivity because of the additional scattering due to phonon-boundary interactions. As these interactions are highly sensitive to the mean free path (MFP) of a given phonon mode, MFP…

Materials Science · Physics 2016-01-13 Giuseppe Romano , Keivan Esfarjani , David A. Strubbe , David Broido , Alexie M. Kolpak

One of the long-standing issues concerning the thermal properties of amorphous solids is the complex pattern of phonon transport. Recent advances in experiments and computer simulations have indicated a crossover from Rayleigh scattering to…

Soft Condensed Matter · Physics 2018-12-24 Hideyuki Mizuno , Atsushi Ikeda

It is generally understood that Fourier's law does not describe ballistic phonon transport, which is important when the length of a material is similar to the phonon mean-free-path. Using an approach adapted from electron transport, we…

Mesoscale and Nanoscale Physics · Physics 2015-06-22 Jesse Maassen , Mark Lundstrom

The transport properties of carriers in semiconducting graphene nanoribbons are studied by comparing the effects of phonon, impurity, and line-edge roughness scattering. It is found that scattering from impurities located at the surface of…

Materials Science · Physics 2009-11-13 Tian Fang , Aniruddha Konar , Huili Xing , Debdeep Jena

In both particle and wave descriptions of phonons, the dense, aperiodically arranged interfaces in aperiodic superlattices are expected to strongly attenuate thermal transport due to phonon-interface scattering or broken long-range…

Materials Science · Physics 2024-09-04 Theodore Maranets , Yan Wang

The anharmonic lattice dynamics of rock-salt thermoelectric compounds SnTe and PbTe are investigated with inelastic neutron scattering (INS) and first-principles calculations. The experiments show that, surprisingly, although SnTe is closer…

Materials Science · Physics 2015-06-18 C. W. Li , O. Hellman , J. Ma , A. F. May , H. B. Cao , X. Chen , A. D. Christianson , G. Ehlers , D. J. Singh , B. C. Sales , O. Delaire

One central challenge in understanding phonon thermal transport is a lack of experimental tools to investigate mode-based transport information. Although recent advances in computation lead to mode-based information, it is hindered by…

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