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Because of high surface-to-volume ratio, the most prominent size effect limiting thermal transport originates from phonon-surface scattering in nanostructures. Herein we propose the mechanism of phonon scattering by the bond strength…

Mesoscale and Nanoscale Physics · Physics 2019-01-16 Guofeng Xie , Gang Zhang

We study the electron and phonon thermalization in simple metals excited by a laser pulse. The thermalization is investigated numerically by solving the Boltzmann transport equation taking into account all the relevant scattering mechanism:…

Materials Science · Physics 2018-02-28 Shota Ono

We have performed a comprehensive computational study of the vibrational properties and electron-phonon couplings in the three known polymorphs of pentacene. Vibrational patterns and electron-phonon interactions were calculated at several…

Materials Science · Physics 2025-07-08 Luca Gnoli , Elisabetta Venuti , Matteo Masino , Patrizio Graziosi

We study the impact of BN's phonons on the electrical resistivity of hBN-encapsulated graphene. While encapsulation yields high-mobility devices, the surrounding BN itself introduces remote scattering from polar optical phonons, whose role…

Understanding the mechanisms of thermal conduction in graphene is a long-lasting research topic, due to its high thermal conductivity. Peierls-Boltzmann transport equation (PBTE) based studies have revealed many unique phonon transport…

Materials Science · Physics 2019-08-14 Xiaokun Gu , Zheyong Fan , Hua Bao , C. Y. Zhao

Phonon size effects induce ballistic transport in nanomaterials, challenging Fourier's law. Nondiffusive heat transport is captured by the Peierls-Boltzmann transport equation (BTE), commonly solved under the relaxation time approximation…

Mesoscale and Nanoscale Physics · Physics 2020-03-10 Giuseppe Romano

We have investigated the effect on phonon energy transport in mesoscopic systems and the reduction in the thermal conductance in the quantum limit due to phonon scattering by surface roughness using full 3-dimensional elasticity theory for…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 D. H. Santamore , M. C. Cross

A thorough understanding of the microscopic picture of heat conduction in solids is critical to a broad range of applications, from thermal management of microelectronics to more efficient thermoelectric materials. The transport properties…

Materials Science · Physics 2021-02-04 Yujie Quan , Shengying Yue , Bolin Liao

We present a detailed study of the charge transport, optical reflectivity, and thermal transport properties of n-type PbSe crystals. A strong scattering, mobility-limiting mechanism was revealed to be at play at temperatures above 500 K.…

Phonon Boltzmann transport equation (BTE) is an important tool for studying the nanoscale thermal transport. Because phonons have a large spread in their properties, the non-gray (i.e. considering different phonon bands) phonon BTE is…

Computational Physics · Physics 2021-09-29 Yue Hu , Yongxing Shen , Hua Bao

We study intrinsic charge-carrier scattering mechanisms and determine their contribution to the transport properties of the two-dimensional ferromagnet Fe$_3$GeTe$_2$. We use state-of-the-art first-principles calculations combined with the…

Quasi-one-dimensional transition-metal chalcogenide Ta$_2$PdSe$_6$ is a promising thermoelectric semimetal due to the strong electron-hole asymmetry in the carrier lifetime. However, the microscopic origin of such a strong asymmetry remains…

Materials Science · Physics 2026-03-13 Masayuki Ochi , Hitoshi Mori , Akitoshi Nakano

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…

Whereas electron-phonon scattering typically relaxes the electron's momentum in metals, a perpetual exchange of momentum between phonons and electrons conserves total momentum and can lead to a coupled electron-phonon liquid with unique…

This paper investigates the mobility of electrons scattering from the coupled system of electrons and longitudinal optical (LO) phonons in n-type GaAs. The Boltzmann equation is solved exactly for low electric fields by an iterative method,…

Condensed Matter · Physics 2016-08-31 B. A. Sanborn

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

Nanostructured semiconducting materials are promising candidates for thermoelectrics due to their potential to suppress phonon transport while preserving electrical properties. Modeling phonon-boundary scattering in complex geometries is…

Materials Science · Physics 2017-10-02 Giuseppe Romano , Alexie M. Kolpak

We calculate the electron-phonon scattering and binding in semiconducting carbon nanotubes, within a tight binding model. The mobility is derived using a multi-band Boltzmann treatment. At high fields, the dominant scattering is inter-band…

Materials Science · Physics 2009-11-10 Vasili Perebeinos , J. Tersoff , Phaedon Avouris

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

We theoretically study the inelastic scattering rate and the carrier mean free path for energetic hot electrons in graphene, including both electron-electron and electron-phonon interactions. Taking account of optical phonon emission and…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Wang-Kong Tse , E. H. Hwang , S. Das Sarma