Taking into account the constraints imposed by the lattice symmetry, we calculate the phonon dispersion for graphene with interactions between the first, second, and third nearest neighbors in the framework of the Born--von Karman model. Analytical expressions obtained for the dispersion of the out-of-plane (bending) modes give the nonzero sound velocity. The dispersion of four in-plane modes is determined by coupled equations. Values of the force constants are found in fitting with frequencies at critical points and with elastic constants measured on graphite.
First principle calculations of the phonons of graphene-BN heterostructures are presented and compared to those of the constituents. We show that AA and AB' stacking are not only energetically less favoured than AB but also dynamically unstable. We have identified low energy flat phonon branches of BN character with out of plane displacement and evaluated their coupling to electrons in graphene.
We calculate hybridization of plasmons and intrinsic optical phonons in graphene by using the self-consistent linear response formalism. We find that longitudinal plasmons (transverse magnetic modes) couple exclusively to transverse optical phonons, whereas graphene's transverse plasmons (transverse electric modes) couple only to longitudinal optical phonons. This mixing of polarizations is in contrast to the usual plasmon-phonon coupling in other systems. The resulting change in phonon frequencies increases (decreases) for transverse (longitudinal) phonons by increasing the concentration of c…
Density functional perturbation theory is used to analyze electron-phonon interaction in bilayer graphene. The results show that phonon scattering in bilayer graphene bears more resemblance with bulk graphite than monolayer graphene. In particular, electron-phonon scattering in the lowest conduction band is dominated by six lowest (acoustic and acoustic-like) phonon branches with only minor contributions from optical modes. The total scattering rate at low/moderate electron energies can be described by a simple two-phonon model in the deformation potential approximation with effective constant…
Metal-intercalated graphene on Ir(111) exhibits phonon signatures in inelastic elec- tron tunneling spectroscopy with strengths that depend on the intercalant. Extraor- dinarily strong graphene phonon signals are observed for Cs intercalation. Li interca- lation likewise induces clearly discriminable phonon signatures, albeit less pronounced than observed for Cs. The signal can be finely tuned by the alkali metal coverage and gradually disappears upon increasing the junction conductance from tunneling to con- tact ranges. In contrast to Cs and Li, for Ni-intercalated graphene the phonon signal…
Using electrical transport experiments and shot noise thermometry, we investigate electron-phonon heat transfer rate in a suspended bilayer graphene. Contrary to monolayer graphene with heat flow via three-body supercollision scattering, we find that regular electron - optical phonon scattering in bilayer graphene provides the dominant scattering process at electron energies $ \gtrsim 0.15$ eV. We determine the strength of these intrinsic heat flow processes of bilayer graphene and find good agreement with theoretical estimates when both zone edge and zone center optical phonons are taken into…
In contrast with carbon nanotubes, the absence of translational symmetry (or periodical boundary condition) in the restricted direction of zigzag graphene nanoribbon removes the selection rule of subband number conservation. However, zigzag graphene nanoribbons with even dimers do have the inversion symmetry. We, therefore, propose a selection rule of parity conservation for electron-phonon interactions. The electron-phonon scattering matrix in zigzag graphene nanoribbons is developed using the tight-binging model within the deformation potential approximation.
We report the dispersion measurements, using angle-resolved reflection electron-energy-loss-spectroscopy (AREELS), on two-dimensional (2D) plasmons in single and multilayer graphene which couple strongly to surface optical phonon (FK phonon) modes of silicon carbide substrate. The coupled modes show discrete dispersion behaviors in the single and bilayer graphene. With increasing graphene layers on SiC(0001), a transition from plasmon-like dispersion to phonon-like dispersion is observed. For plasmon-like modes, the dispersion is strongly damped by electron-hole pair excitations at entering si…
The fine structure of the Dirac energy spectrum in graphene induced by electron-optical phonon coupling is investigated in the portion of the spectrum near the phonon emission threshold. The derived new dispersion equation in the immediate neighborhood below the phonon threshold corresponds to an electron-phonon bound state. We find that the singular vertex corrections beyond perturbation theory increase strongly the electron-phonon binding energy. The predicted enhancement of the effective electron-phonon coupling can be measured using angle-resolved spectroscopy.
We study, by means of a Monte Carlo simulator, the hot phonon effect on the relaxation dynamics in photoexcited graphene and its quantitative impact as compared to considering an equilibrium phonon distribution. Our multi-particle approach indicates that neglecting the hot phonon effect significantly underestimates the relaxation times in photoexcited graphene. The hot phonon effect is more important for a higher energy of the excitation pulse and photocarrier densities between $1$ and $3\times 10^{12} \mathrm{~cm}^{-2}$. Acoustic intervalley phonons play a non-negligible role, and emitted pho…
In this paper we study in detail the effect of the rotational alignment between a hexagonal boron nitride (hBN) slab and the graphene layers in the vertical current of a a graphene-hBN-graphene device. We show how for small rotational angles, the transference of momentum by the hBN crystal lattice leads to multiple peaks in the I-V curve of the device, giving origin to multiple regions displaying negative differential conductance. We also study the effect of scattering by phonons in the vertical current an see how the opening up of inelastic tunneling events allowed by spontaneous emission of …
We calculate the phonons in a graphene nanoconstriction(GNC) in the presence of a high current density. The Joule-heating, current-induced forces, and coupling to electrode phonons is evaluated using first principles nonequilibrium DFT-NEGF calculations. Close to a resonance in the electronic structure we observe a strongly nonlinear heating with bias and breakdown of the harmonic approximation. This behavior results from negatively damped phonons driven by the current. The effect may limit the stability and capacity of graphene nanoconstrictions to carry high currents.
Recent advances in strain engineering at the nanoscale have shown the feasibility to modulate the properties of graphene. Although the electron-phonon (e-ph) coupling and Kohn anomalies in graphene define the phonon branches contributing to the resonance Raman scattering, and is relevant to the electronic and thermal transport as a scattering source, the evolution of the e-ph coupling as a function of strain has been less studied. In this work, the Kohn anomalies and the e-ph coupling in uniaxially strained graphene along armchair (AC) and zigzag (ZZ) directions were studied by means of densit…
This letter calculates the contribution of electron-phonon interaction to thermoelectric effects in graphene. One considers the case of free standing graphene taking into account interaction with intrinsic acoustic phonons. The temperatures considered range from liquid nitrogen to the room level. It has turned out that the contribution to thermoelectromotive force due to electron drag by phonons is determined by the Fermi energy in the sample and phonon relaxation time. The explicit temperature dependence of the contribution to thermoelectromotive force deriving from by phonons is weak in cont…
The electron-phonon interaction in monolayer graphene is investigated by using density functional perturbation theory. The results indicate that the electron-phonon interaction strength is of comparable magnitude for all four in-plane phonon branches and must be considered simultaneously. Moreover, the calculated scattering rates suggest an acoustic phonon contribution that is much weaker than previously thought, revealing the role of optical phonons even at low energies. Accordingly it is predicted, in good agreement with a recent measurement, that the intrinsic mobility of graphene may be mo…
Bi-layer graphene with a twist angle θ between the layers generates a superlattice structure known as Moiré pattern. This superlattice provides a θ-dependent q wavevector that activates phonons in the interior of the Brillouin zone. Here we show that this superlattice-induced Raman scattering can be used to probe the phonon dispersion in twisted bi-layer graphene (tBLG). The effect reported here is different from the broadly studied double-resonance in graphene-related materials in many aspects, and despite the absence of stacking order in tBLG, layer breathing vibrations (namely ZO' phonons) …
We investigate the many-body properties of graphene on top of a piezoelectric substrate, focusing on the interaction between the graphene electrons and the piezoelectric acoustic phonons. We calculate the electron and phonon self-energies as well as the electron mobility limited by the substrate phonons. We emphasize the importance of the proper screening of the electron-phonon vertex and discuss the various limiting behaviors as a function of electron energy, temperature, and doping level. The effect on the graphene electrons of the piezoelectric acoustic phonons is compared with that of the …
We study effects of strong impurities on the heat transfer in a coupled electron-phonon system in disordered graphene. A detailed analysis of the electron-phonon heat exchange assisted by such an impurity through the 'resonant supercollision' mechanism is presented. We further explore the local modification of heat transfer in a weakly disordered graphene due to a resonant scatterer and determine spatial profiles of the phonon and electron temperature around the scatterer under electrical driving. Our results are consistent with recent experimental findings on imaging resonant dissipation from…
One of the most distinctive features of graphene is its huge inter-Landau-level splitting in experimentally attainable magnetic fields which results in the room-temperature quantum Hall effect. In this paper we calculate the longitudinal conductivity induced by two-phonon scattering in graphene in a quantizing magnetic field at elevated temperatures. It is concluded that the purely phonon-induced scattering, negligible for conventional semiconductor heterostructures under quantum Hall conditions, becomes comparable to the disorder-induced contribution to the dissipative conductivity of graphen…
The effects of surface polar phonons on electronic transport properties of monolayer graphene are studied by using a Monte Carlo simulation. Specifically, the low-field electron mobility and saturation velocity are examined for different substrates (SiC, SiO2, and HfO2) in comparison to the intrinsic case. While the results show that the low-field mobility can be substantially reduced by the introduction of surface polar phonon scattering, corresponding degradation of the saturation velocity is not observed for all three substrates at room temperature. It is also found that surface polar phono…
Using the Kubo linear response formalism, we study the effects of intrinsic graphene optical and surface polar phonons (SPPs) on the optical conductivity of doped graphene. We find that inelastic electron-phonon scattering contributes significantly to the phonon-assisted absorption in the optical gap. At room temperature, this midgap absorption can be as large as 20-25% of the universal ac conductivity for graphene on polar substrates due to strong electron-SPP coupling. The midgap absorption, moreover, strongly depends on the substrates and doping levels used. With increasing temperature, the…
The temperature ($\it T$) dependence of electrical resistivity in graphene has been experimentally investigated between 10 and 400 K for samples prepared on various substrates; HfO$_2$, SiO$_2$ and h-BN. The resistivity of graphene shows a linear $\it T$-dependence at low $\it T$ and becomes superlinear above a substrate-dependent transition temperature. The results are explained by remote interfacial phonon scattering by surface optical phonons at the substrates. The use of an appropriate substrate can lead to a significant improvement in the charge transport of graphene.
We investigate the effect of electron- $\mathrm{A}_{1g}$ phonon coupling on the gapless electronic band dispersion of the pristine graphene. The electron-phonon interaction is introduced through a Kekulé-type distortion giving rise to inter-valley scattering between K and K' points in graphene. We develop a Fröhlich type Hamiltonian within the continuum model in the long wave length limit. By presenting a fully theoretical analysis, we show that the interaction of charge carriers with the highest frequency zone-boundary phonon mode of $% \mathrm{A}_{1g}$-symmetry induces a mini band gap at the…
Our low-temperature magneto-Raman scattering measurements performed on graphene-like locations on the surface of bulk graphite reveal a new series of magneto-phonon resonances involving both K-point and Gamma-point phonons. In particular, we observe for the first time the resonant splitting of three crossing excitation branches. We give a detailed theoretical analysis of these new resonances. Our results highlight the role of combined excitations and the importance of multi-phonon processes (from both K and Gamma points) for the relaxation of hot carriers in graphene.
We construct an analytic continuum model to describe the electronic structure and the electron-phonon interaction in twisted bilayer graphenes with arbitrary lattice deformation. Starting from the tight-binding model, we derive the interlayer Hamiltonian in the presence of general lattice displacement, and obtain a long-wavelength continuum expression for smooth deformation. We show that the continuum model correctly describes the band structures of the lattice-relaxed twisted bilayer graphenes. We apply the formula to the phonon vibration, and derive an explicit expression of the electron-pho…
The spectrum of electron-phonon complexes in a monolayer graphene is investigated in the presence of a perpendicular quantizing magnetic field. Despite the small electron-phonon coupling, usual perturbation theory is inapplicable for calculation of the scattering amplitude near the threshold of the optical phonon emission. Our findings beyond perturbation theory show that the true spectrum near the phonon emission threshold is completely governed by new branches, corresponding to bound states of an electron and an optical phonon with a binding energy of the order of $αω_{0}$ where $α$ is the e…
Electronic transport in BN-encasulated graphene limited by remote phonon scattering
Laboratoire Charles Coulomb (L2C), UMR 5221 CNRS-Université de Montpellier（蒙彼利埃大学查尔斯·库隆实验室）；Aix Marseille Univ, CNRS, CINaM, AMUTech（艾克斯马赛大学）；University of Modena and Reggio Emilia（摩德纳和雷焦艾米利亚大学）；Sapienza Università di Roma（罗马第一大学）
In this work we study the symmetry properties of electrons and phonons in graphene systems as function of the number of layers. We derive the selection rules for the electron-radiation and for the electron-phonon interactions at all points in the Brillouin zone. By considering these selection rules, we address the double resonance Raman scattering process. The monolayer and bilayer graphene in the presence of an applied electric field are also discussed.
We show how the magneto-phonon resonance, particularly pronounced in sp2 carbon allotropes, can be used as a tool to probe the band structure of multilayer graphene specimens. Even when electronic excitations cannot be directly observed, their coupling to the E2g phonon leads to pronounced oscillations of the phonon feature observed through Raman scattering experiments with multiple periods and amplitudes detemined by the electronic excitation spectrum. Such experiment and analysis have been performed up to 28T on an exfoliated 4-layer graphene specimen deposited on SiO2, and the observed osci…
Using very uniform large scale chemical vapor deposition grown graphene transferred onto silicon, we were able to identify 15 distinct Raman lines associated with graphene monolayers. This was possible thanks to a combination of different carbon isotopes and different Raman laser energies and extensive averaging without increasing the laser power. This allowed us to obtain a detailed experimental phonon dispersion relation for many points in the Brillouin zone. We further identified a D+D' peak corresponding to a double phonon process involving both an inter- and intra-valley phonon.
We study plasmonic resonances in electrostatically gated graphene nanoribbons on silicon dioxide substrates. Absorption spectra are measured in the mid-far infrared and reveal multiple peaks, with width-dependent resonant frequencies. We calculate the dielectric function within the random phase approximation and show that the observed spectra can be explained by surface-plasmon-phonon-polariton modes, which arise from coupling of the graphene plasmon to three surface optical phonon modes in the silicon dioxide.
One of the factors limiting electron mobility in supported graphene is remote phonon scattering. We formulate the theory of the coupling between graphene plasmon and substrate surface polar phonon (SPP) modes, and find that it leads to the formation of interfacial plasmon-phonon (IPP) modes, from which the phenomena of dynamic anti-screening and screening of remote phonons emerge. The remote phonon-limited mobilities for SiO$_{2}$, HfO$_{2}$, h-BN and Al$_{2}$O$_{3}$ substrates are computed using our theory. We find that h-BN yields the highest peak mobility, but in the practically useful high…
Rotation and reflection symmetries impose that out-of-plane (flexural) phonons of free-standing graphene membranes have a quadratic dispersion at long wavelength and can be excited by charge carriers in pairs only. As a result, we find that flexural phonons dominate the phonon contribution to the resistivity $ρ$ below a crossover temperature T_x where we obtain an anomalous temperature dependence $ρ\propto T^{5/2}_{}\ln T$. The logarithmic factor arises from renormalizations of the flexural phonon dispersion due to coupling between bending and stretching degrees of freedom of the membrane.
We derive the frequency shifts and the broadening of $Γ$ point longitudinal optical (LO) and transverse optical (TO) phonon modes, due to electron-phonon interaction, in graphene under uniaxial strain as a function of the electron density and the disorder amount. We show that, in the absence of a shear strain component, such interaction gives rise to a lifting of the degeneracy of the LO and TO modes which contributes to the splitting of the G Raman band. The anisotropy of the electronic spectrum, induced by the strain, results in a polarization dependence of the LO and TO modes. This dependen…
Using electrical transport experiments and shot noise thermometry, we find strong evidence that "supercollision" scattering processes by flexural modes are the dominant electron-phonon energy transfer mechanism in high-quality, suspended graphene around room temperature. The power law dependence of the electron-phonon coupling changes from cubic to quintic with temperature. The change of the temperature exponent by two is reflected in the quadratic dependence on chemical potential, which is an inherent feature of two-phonon quantum processes.
In this work we probe the third-order non-linear optical property of graphene, hexagonal boron nitride and their heterostructure by the use of coherent anti-Stokes Raman Spectroscopy. When the energy difference of the two input fields match the phonon energy, the anti-Stokes emission intensity is enhanced in h-BN, as usually expected while for graphene a anomalous decrease is observed. This behaviour can be understood in terms of q coupling between the electronic continuum and a discrete phonon state. We have also measured a graphene/h-BN heterostructure and demonstrate that the anomalous effe…
Magneto-Raman scattering experiments from the surface of graphite reveal novel features associated to purely electronic excitations which are observed in addition to phonon-mediated resonances. Graphene-like and graphite domains are identified through experiments with $\sim 1μm$ spatial resolution performed in magnetic fields up to 32T. Polarization resolved measurements emphasize the characteristic selection rules for electronic transitions in graphene. Graphene on graphite displays the unexpected hybridization between optical phonon and symmetric across the Dirac point inter Landau level tra…
By using non-equilibrium molecular dynamics simulations(NEMD), the modulation on temperature dependence of thermal conductivity of graphene phononic crystals (GPnCs) are investigated. It is found that the temperature dependence of thermal conductivity of GPnCs follows $T^{-α}$ behavior. The power exponents ($α$) can be efficiently tuned by changing the characteristic size of GPnCs. The phonon participation ratio spectra and dispersion relation reveal that the long-range phonon modes are more affected in GPnCs with larger size of holes ($L_0$). Our results suggest that constructing GPnCs is an …
We observe a series of sharp resonant features in the differential conductance of graphene-hexagonal boron nitride-graphene tunnel transistors over a wide range of bias voltages between $\sim$10 and 200 mV. We attribute them to electron tunneling assisted by the emission of phonons of well-defined energy. The bias voltages at which they occur are insensitive to the applied gate voltage and hence independent of the carrier densities in the graphene electrodes, so plasmonic effects can be ruled out. The phonon energies corresponding to the resonances are compared with the lattice dispersion curv…
We present a study of transport in graphene devices on polar insulating substrates using a tight-binding model. The mobility is computed using a multiband Boltzmann treatment. We provide the scaling of the surface polar phonon contribution to the low-field mobility with carrier density, temperature, and distance from the substrate. At high bias, we find that graphene self-heating effect is essential to account for the observed saturated current behavior. We predict that by optimizing the device cooling, the high bias currents can be significantly enhanced.
Many-body effects resulting from strong electron-electron and electron-phonon interactions play a significant role in graphene physics. We report on their manifestation in low B field magneto-phonon resonances in high quality exfoliated single-layer and bilayer graphene encapsulated in hexagonal boron nitride. These resonances allow us to extract characteristic effective Fermi velocities, as high as $1.20 \times 10^6$ m/s, for the observed "dressed" Landau level transitions, as well as the broadening of the resonances, which increases with Landau level index.
Graphene is a promising candidate for building fast and ultra-sensitive bolometric detectors due to its weak electron-phonon coupling and low heat capacity. In order to realize a practical graphene-based bolometer, several important issues, including the nature of radiation response, coupling efficiency to the radiation and the thermal conductance need to be carefully studied. Addressing these issues, we present graphene-superconductor junctions as a viable option to achieve efficient and sensitive bolometers, with the superconductor contacts serving as hot electron barriers. For a graphene-su…
Trilayer graphene in both ABA (Bernal) and ABC (rhombohedral) stacking sequences is shown to exhibit intense infrared absorption from in-plane optical phonons. The feature, lying at ~1580 cm-1, changes strongly with electrostatic gating. For ABC-stacked graphene trilayers, we observed a large enhancement in phonon absorption amplitude, as well as softening of the phonon mode, as the Fermi level is tuned away from charge neutrality. A similar, but substantially weaker effect is seen in samples with the more common ABA stacking order. The strong infrared response of the optical phonons and the p…
We analyze the couplings between spins and phonons in graphene. We present a complete analysis of the possible couplings between spins and flexural, out of plane, vibrations. From tight-binding models we obtain analytical and numerical estimates of their strength. We show that dynamical effects, induced by quantum and thermal fluctuations, significantly enhance the spin-orbit gap.
We theoretically calculate the phonon scattering limited electron mobility in extrinsic (i.e. gated or doped with a tunable and finite carrier density) 2D graphene layers as a function of temperature $(T)$ and carrier density $(n)$. We find a temperature dependent phonon-limited resistivity $ρ_{ph}(T)$ to be linear in temperature for $T\agt 50 K$ with the room temperature intrinsic mobility reaching values above $10^5$ cm$^2/Vs$. We comment on the low-temperature Bloch-Grüneisen behavior where $ρ_{ph}(T) \sim T^4$ for unscreened electron-phonon coupling.
We study the effect exerted by the electrons on the flexural phonons in graphene, accounting for the attractive interaction created by the exchange of electron-hole excitations. Combining the self-consistent computation of the phonon self-energy with renormalization group methods, we show that graphene has two different phases corresponding to soft and strong renormalization of the bending rigidity in the long-wavelength limit. In the first case, the system may have an intermediate scale in which the phonon dispersion is softened, but it manages finally to become increasingly rigid over large …
We examine the intrinsic energy dissipation steps in electrically biased graphene channels. By combining in-situ measurements of the spontaneous optical emission with a Raman spectroscopy study of the graphene sample under conditions of current flow, we obtain independent information on the energy distribution of the electrons and phonons. The electrons and holes contributing to light emission are found to obey a thermal distribution, with temperatures in excess of 1500 K in the regime of current saturation. The zone-center optical phonons are also highly excited and are found to be in equilib…
Graphene moire superlattices are outstanding platforms to study correlated electron physics and superconductivity with exceptional tunability. However, robust superconductivity has been measured only in magic-angle twisted bilayer graphene (MA-TBG) and magic-angle twisted trilayer graphene (MA-TTG). The absence of a superconducting phase in certain moire flat bands raises a question on the superconducting mechanism. In this work, we investigate electronic structure and electron-phonon coupling in graphene moire superlattices based on atomistic calculations. We show that electron-phonon couplin…
We devise a theory of adsorption of low-energy atoms on suspended graphene membranes maintained at 10 K based on a model of atom-acoustic phonon interactions. Our primary technique includes a non-perturbative method which treats the dynamics of the multiple phonons in an exact manner within the purview of the Independent Boson Model. We present a study on the effects of the phonons assisting the renormalization as well as decay of the incident atom propagator and discuss results for the many-body adsorption rates for atomic hydrogen on graphene micromembranes. Additionally, we report similarit…
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 typical of common bulk semiconductors, and very far from the impressive experiments on 2D graphene. Suspended GNRs with a width of 1 nm exhibit a mobility close to 500 cm^2/Vs at room temperature, whereas if the same GNRs are deposited on HfO2 mobility is further reduced to about 60 cm^2/Vs due to surface phonons. We also show the occurrence of polaron formation…
We theoretically study in-plane acoustic phonons of graphene/hexagonal boron nitride moiré superlattice by using a continuum model. We demonstrate that the original phonon bands of individual layers are strongly hybridized and reconstructed into moiré phonon bands consisting of dispersive bands and flat bands. The phonon band structure can be effectively described by a spring-mass network model to simulate the motion of moiré domain walls, where the flat-band modes are interpreted as vibrations of independent, decoupled strings. We also show that the moiré phonon has angular momentum due to th…
The interaction between graphene plasmons and surface phonons of a semiconductor substrate is investigated, which can be efficiently controlled by the carrier injection of the substrate. The energy and lifetime of surface phonons in a substrate depend a lot on the carrier concentration, which provides a new machanism to tune plasmon-phonon coupled modes (PPCMs). More specifically, the dispersion and lifetime of PPCMs can be controlled by the carrier concentration change of the substrate. The energy of PPCMs for a given momentum increases as the carrier concentration of a substrate increases. O…
The experimental Raman spectra of graphene exhibit a few intense two-phonon bands, which are enhanced through double-resonant scattering processes. Though there are many theoretical papers on this topic, none of them predicts the spectra within a single model. Here, we present results for the two-phonon Raman spectra of graphene calculated by means of the quantum perturbation theory. The electron and phonon dispersions, electronic lifetime, electron-photon and electron-phonon matrix elements, are all obtained within a density-functional-theory-based non-orthogonal tight-binding model. We study…
Conduction between graphene layers is suppressed by momentum conservation whenever the layer stacking has a rotation. Here we show that phonon scattering plays a crucial role in facilitating interlayer conduction. The resulting dependence on orientation is radically different than previously expected, and far more favorable for device applications. At low temperatures, we predict diode-like current-voltage characteristics due to a phonon bottleneck. Simple scaling relationships give a good description of the conductance as a function of temperature, doping, rotation angle, and bias voltage, re…
Due to their possibility to encode information and realize low-energy-consumption quantum devices, control and manipulation of the valley degree of freedom have been widely studied in electronic systems. In contrast, the phononic counterpart--valley phononics--has been largely unexplored, despite the importance in both fundamental science and practical applications. In this work, we demonstrate that the control of "valleys" is also applicable for phonons in graphene by using a grain boundary. In particular, perfect valley filtering effect is observed at certain energy windows for flexural mode…
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, describing the electrical and phononic properties through \textit{ab-initio} density functional theory and empirical interatomic potentials, respectively. We consider two different types of deformations, a continuous twist of a given angle applied to the nanoribbon, and two consecutive twists applied in opposite angular directions. The numerical results are…
Using first-principles modeling, we investigate how phonon transport evolves in layered/van der Waals materials when going from 3D to 2D, or vice versa, by gradually pulling apart the atomic layers in graphite to form graphene. Focus is placed on identifying the features impacting thermal conductivity that are likely shared with other layered materials. The thermal conductivity $κ$ of graphite is found to be lower than that of graphene mainly due to changes in the phonon dispersion driven by van der Waals coupling. Specifically, as the atomic layers are brought closer together, the acoustic fl…
We study and compare two analytic models of graphene quantum dots for calculating charge relaxation times due to electron-phonon interaction. Recently, charge relaxation processes in graphene quantum dots have been probed experimentally and here we provide a theoretical estimate of relaxations times. By comparing a model with pure edge confinement to a model with electrostatic confinement, we find that the latter features much larger relaxation times. Interestingly, relaxation times in electrostatically defined quantum dots are predicted to exceed the experimentally observed lower bound of ~10…
We study the in-plane acoustic phonons in twisted bilayer graphenes using the effective continuum approach. We calculate the phonon modes by solving the continuum equation of motion for infinitesimal vibration around the static relaxed state with triangular domain structure. We find that the moiré interlayer potential only affects the in-plane asymmetric modes, where the original linear dispersion is broken down into miniphonon bands separated by gaps, while the in-plane symmetric modes with their linear dispersion are hardly affected. The phonon wave functions of asymmetric modes are regarded…
