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We present analytical model and molecular dynamics simulations of phonon heat transport in nanowires and nanoribbons with anharmonic lattices and dynamically rough surfaces and edges. In agreement with recent experiments on heat transport…

Statistical Mechanics · Physics 2011-12-30 Yuriy A. Kosevich , Alexander V. Savin

A time-dependent inelastic electron transport theory for strong electron-phonon interaction is established via the equations of motion method combined with the small polaron transformation. In this work, the dissipation via electron-phonon…

Mesoscale and Nanoscale Physics · Physics 2015-05-21 Yu Zhang , ChiYung Yam , GuanHua Chen

We study thermoelectric transport through a coherent molecular conductor connected to two electron and two phonon baths using the nonequilibrium Green's function method. We focus on the mutual drag between electron and phonon transport as a…

Mesoscale and Nanoscale Physics · Physics 2016-05-11 Jing-Tao Lü , Jian-Sheng Wang , Per Hedegård , Mads Brandbyge

Understanding of the energy exchange between electrons and phonons in metals is important for micro- and nano-manufacturing and system design. The electron-phonon (e-ph) coupling constant is to describe such exchange strength, yet its…

Mesoscale and Nanoscale Physics · Physics 2021-03-17 Wuli Miao , Moran Wang

Knowledge of lattice anharmonicity is essential to elucidate distinctive thermal properties in crystalline solids. Yet, accurate \textit{ab initio} investigations of lattice anharmonicity encounter difficulties owing to the cumbersome…

Materials Science · Physics 2022-04-13 Zhen Zhang , Dong-Bo Zhang , Tao Sun , Renata M. Wentzcovitch

The conductance through a molecular device including electron-electron and electron-phonon interactions is calculated using the Numerical Renormalization Group method. At low temperatures and weak electron-phonon coupling the properties of…

Strongly Correlated Electrons · Physics 2007-05-23 P. S. Cornaglia , H. Ness , D. R. Grempel

We study properties of thermal transport and quantum many-body chaos in a lattice model with $N\to\infty$ oscillators per site, coupled by strong anharmonic terms. We first consider a model with only optical phonons. We find that the…

Strongly Correlated Electrons · Physics 2021-11-12 Evyatar Tulipman , Erez Berg

We perform a brief but critical review of the Landauer picture of transport that clarifies how decoherence appears in this approach. On this basis, we present different models that allow the study of the coherent and decoherent effects of…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 H. M. Pastawski , L. E. F. Foa Torres , Ernesto Medina

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…

We examine coherent phonons in a strongly driven sample of optimally-doped high temperature superconductor YBa$_2$Cu$_3$O$_{7-\delta}$. We observe a non-linear lattice response of the 4.5\,THz copper-oxygen vibrational mode at high…

We investigate the effect of tuning the phonon energy on the correlation effects in models of electron-phonon interactions using DMFT. In the regime where itinerant electrons, instantaneous electron-phonon driven correlations and static…

Strongly Correlated Electrons · Physics 2015-05-13 J. P. Hague , N. d'Ambrumenil

The linear transport properties of a model molecular transistor with electron-electron and electron-phonon interactions were investigated analytically and numerically. The model takes into account phonon modulation of the electronic energy…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 P. S. Cornaglia , D. R. Grempel , H. Ness

The electrical conductivity of a macroscopic assembly of nanomaterials is determined through a complex interplay of electronic transport within and between constituent nano-objects. Phonons play dual roles in this situation: their increased…

Mesoscale and Nanoscale Physics · Physics 2023-05-10 Davoud Adinehloo , Weilu Gao , Ali Mojibpour , Junichiro Kono , Vasili Perebeinos

We present a conceptually simple method for treating electron-phonon scattering and phonon limited mobilities. By combining Green's function based transport calculations and molecular dynamics (MD), we obtain a temperature dependent…

Mesoscale and Nanoscale Physics · Physics 2017-06-28 Troels Markussen , Mattias Palsgaard , Daniele Stradi , Tue Gunst , Mads Brandbyge , Kurt Stokbro

A general form of a many-body Hamiltonian is considered, which includes an interacting fermionic sub-system coupled to non-interacting extended fermionic and bosonic systems. We show that the exact dynamics of the extended bosonic system…

Strongly Correlated Electrons · Physics 2015-06-22 Eli Y. Wilner , Haobin Wang , Michael Thoss , Eran Rabani

Acoustic phonons play a special role in lattice heat transport, and confining these low-energy modes in low-dimensional materials may enable nontrivial transport phenomena. By applying lowest-order anharmonic perturbation theory to an…

Mesoscale and Nanoscale Physics · Physics 2021-09-01 Daniel Bruns , Alireza Nojeh , A. Srikantha Phani , Jörg Rottler

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

Thermal transport by phonons in films with thicknesses of less than 10 nm is investigated in a soft system (Lennard-Jones argon) and a stiff system (Tersoff silicon) using two-dimensional lattice dynamics calculations and the Boltzmann…

Mesoscale and Nanoscale Physics · Physics 2020-01-22 Bo Fu , Kevin D. Parrish , Hyun-Young Kim , Guihua Tang , Alan J. H. McGaughey

Charge and thermal conductivities are the most important parameters of carbon nanomaterials as candidates for future electronics. In this paper we address the effects of Anderson type disorder in long semiconductor carbon nanotubes (CNTs)…

Mesoscale and Nanoscale Physics · Physics 2013-10-16 H. Sevincli , T. Lehmann , D. A. Ryndyk , G. Cuniberti

In this study, we employ the atomistic wave-packet method to directly simulate coherent phonon transport and scattering dynamics in an aperiodic superlattice structure with aperiodically arranged interfaces. Our investigation reveals that…

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