相关论文: Role of Phonon Scattering in Graphene Nanoribbon T…
In the present molecular dynamics study, external ac driving is used at frequencies outside the phonon spectrum to excite gap DBs in uniformly strained graphene nanoribbon. Harmonic displacement or harmonic force is applied to a zigzag…
We investigate electron-phonon couplings, scattering rates, and mean free paths in zigzag-edge graphene strips with widths of the order of 10 nm. Our calculations for these graphene nanostrips show both the expected similarity with…
The phonon thermal conductance of sub-nanometric vacuum gaps between two in-plane nanoribbons of two-dimensional materials (graphene and silicene) is analyzed using the atomistic Green's function method and by employing the Tersoff and…
In this paper, we present a powerful method (Atomistic Green's Function, AGF) for calculating the effective Hamiltonian of acoustic and elastic wave-scatterers. The ability to calculate the effective Hamiltonian allows for the study of…
We theoretically study the electrical, thermal and thermoelectric transport properties of graphene nanoribbons under torsional deformations. The modelling follows a nonequilibrium Green's function approach in the ballistic transport regime,…
Single walled carbon nanotubes with Pd ohmic contacts and lengths ranging from several microns down to 10 nm are investigated by electron transport experiments and theory. The mean free path (mfp) for acoustic phonon scattering is estimated…
We present an \emph{ab-initio} study that identifies the main electron-phonon scattering channels in $n$-type PbTe. We develop an electronic transport model based on the Boltzmann transport equation within the transport relaxation time…
The linear dispersion relation in graphene[1,2] gives rise to a surprising prediction: the resistivity due to isotropic scatterers (e.g. white-noise disorder[3] or phonons[4-8]) is independent of carrier density n. Here we show that…
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…
We investigate the low-field phonon-limited mobility in armchair graphene nanoribbons (GNRs) using full-band electron and phonon dispersion relations. We show that lateral confinement suppresses the intrinsic mobility of GNRs to values…
Computationally inexpensive approximations describing electron-phonon scattering in molecular-scale conductors are derived from the non-equilibrium Green's function method. The accuracy is demonstrated with a first principles calculation on…
Comprehensive understanding of thermal transport in nanostructured materials needs large scale simulations bridging length scales dictated by different physics related to the wave versus particle nature of phonons. Yet, available…
In spite of their importance for understanding phonon transport phenomena in thin films and polycrystalline solids, the effects of boundary roughness scattering on phonon specularity and coherence are poorly understood because there is no…
Sub-10nm wide graphene nanoribbon field-effect transistors (GNRFETs) are studied systematically. All sub-10nm GNRs afforded semiconducting FETs without exception, with Ion/Ioff ratio up to 10^6 and on-state current density as high as…
We propose systems that allow a tuning of the phonon transmission function T($\omega$) in graphene nanoribbons by using C$^{13}$ isotope barriers, antidot structures, and distinct boundary conditions. Phonon modes are obtained by an…
Electron transport and quantum conductance through an armchair graphene and its oxidized graphene- containing form were investigated by the density functional theory (DFT) method and the implementation of the non-equilibrium Green function…
Multi-phonon Raman scattering in semiconductor nanocrystals is treated taking into account both adiabatic and non-adiabatic phonon-assisted optical transitions. Because phonons of various symmetries are involved in scattering processes,…
We have adapted R-matrix theory to calculate phonon scattering across systems of molecular to mesoscopic scale. The key novelty of this work is that the only required information about the scattering region are its normal modes, which are…
Carbon nanotubes (CNTs) have large intrinsic carrier mobility due to weak acoustic phonon scattering. However, unlike two-dimensional metal-oxide-semiconductor field effect transistors (MOSFETs), substrate surface polar phonon (SPP)…
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…