Graphene is a monolayer of carbon atoms packed into a hexagon lattice to host two pairs of massless two-dimensional Dirac fermions in the absence of or with negligible spin-orbit coupling. It is known that the existence of non-zero electric polarization in reduced momentum space which is associated with a hidden chiral symmetry will lead to the zero-energy flat band of zigzag nanoribbon. The Adler-Bell-Jackiw chiral anomaly or non-conservation of chiral charges at different valleys can be realized in a confined ribbon of finite width. In the laterally diffusive regime, the finite-size correction to conductivity is always positive and goes inversely with the square of the lateral dimension W, which is different from the finite-size correction inversely with W from boundary modes. This anomalous finite-size conductivity reveals the signature of the chiral anomaly in graphene, and is measurable experimentally.
The thermal conductivity of graphene nanoribbons (layer from 1 to 8 atomic planes) is investigated by using the nonequilibrium molecular dynamics method. We present that the room-temperature thermal conductivity decays monotonically with the number of the layers in few-layer graphene. The superiority of zigzag graphene in thermal conductivity is only available in high temperature region and disappears in multi-layer case. It is explained that the phonon spectral shrink in high frequency induces the change of thermal conductivity. It is also reported that single-layer graphene has better ballis…
We consider the tight-binding approximation for the description of energy bands of graphene, together with the standard Boltzmann's transport equation and constant relaxation time, an expression for the conductivity was obtained. We predicted strong nonlinear effects in graphene which may be useful for high frequency generation.
The analysis of Current-voltage characteristic and Ampere-Gauss characteristic for graphene with Hubbard interaction was carried out depending on frequency of external variable field and magnetic field. The regions of the absolute negative conductivity were found.
Transport properties of irradiated graphene (electrical conductivity and mobility) are numerically investigated using the real-space Kubo formalism. A micrometer-sized system consisting of millions of atoms with nanopores of various sizes and concentrations is described. Electrical conductivity and mobility as a function of carrier (hole) density are calculated to provide possible comparisons with experiments.
Disordered Fermi-Dirac distributions are used to model, within a straightforward and essentially phenomenological Boltzmann equation approach, the electron/hole transport across graphene puddles. We establish, with striking experimental support, a functional relationship between the graphene minimum conductivity, the mobility in the Boltzmann regime, and the steepness of the conductivity parabolic profile usually observed through gate-voltage scanning around the charge neutral point.
We study thermal transport in folded graphene nanoribbons using molecular dynamics simulations and the non-equilibrium Green's function method. It is found that the thermal conductivity of flat graphene nanoribbons can be modulated by folding and changing interlayer couplings. The analysis of transmission reveals that the reduction of thermal conductivity is due to scattering of low frequency phonons by the folds. Our results suggest that folding can be utilized in the modulation of thermal transport properties in graphene and other two dimensional materials.
Using non-equilibrium molecular dynamics method(NEMD), we have found that the thermal conductivity of multilayer graphene nanoribbons monotonously decreases with the increase of the number of layers, such behavior can be attributed to the phonon resonance effect of out-of-plane phonon modes. The reduction of thermal conductivity is found to be proportional to the layer size, which is caused by the increase of phonon resonance. Our results are in agreement with recent experiment on dimensional evolution of thermal conductivity in few layer graphene.
In this study, the Optical conductivity of substitutionary doped graphene is investigated in presence of the Rashba spin orbit coupling (RSOC). Calculations have been performed within the coherent potential approximation (CPA) beyond the Dirac cone approximation. Results of the current study demonstrate that the optical conductivity is increased by increasing the RSOC strength. Meanwhile it was observed that the anisotropy of the band energy results in a considerable anisotropic optical conductivity (AOC) in monolayer graphene. The sign and magnitude of this anisotropic conductivity was shown …
We address the tunneling current in a graphene-hBN-graphene heterostructure as function of the twisting between the crystals. The twisting induces a modulation of the hopping amplitude between the graphene layers, that provides the extra momentum necessary to satisfy momentum and energy conservation and to activate coherent tunneling between the graphene electrodes. Conservation rules limit the tunneling to states with wavevectors lying at the conic curves defined by the intersection of two Dirac cones shifted in momentum and energy. There is a critical voltage where the intersection is a stra…
Conductivity of monolayer and two-layer graphene is considered with due regard for mutual drag of band electrons and holes. Search of contribution of the drag in conductivity shows that this effect can sufficiently influence on mobility of carriers, which belong to different groups and have different drift velocities. In two-layer system the mutual drag can even change the di-rection of partial current in separate layer.
Using the linearized Boltzmann transport equation and perturbation theory, we analyze the reduction in the intrinsic thermal conductivity of few-layer graphene sheets accounting for all possible three-phonon scattering events. Even with weak coupling between layers, a significant reduction in the thermal conductivity of the out-of-plane acoustic modes is apparent. The main effect of this weak coupling is to open many new three-phonon scattering channels that are otherwise absent in graphene. However, reflection symmetry is only weakly broken with the addition of multiple layers, and ZA phonons…
We theoretically study the population inversion and negative dynamic conductivity in intrinsic graphene in the terahertz (THz) frequency range upon pulse photoexcitation with near-/mid-infrared wavelength. The threshold pulse energy required for the population inversion and negative dynamic conductivity can be orders-of-magnitude lower when the pulse photon energy is lower, due to the inverse proportionality of the photoexcited carrier concentration to the pulse photon energy and to the weaker carrier heating. We also investigate the dependence of the dynamic conductivity on the momentum relax…
We develop the theory of heat conductivity in supported graphene, accounting for coherent phonon scattering on disorder induced by an amorphous substrate. We derive spectra for in-plane and out-of-plane phonons in the framework of Green's function approach. The energetic parameters of the theory are obtained using the molecular dynamics simulations for graphene on SiO$_2$ substrate. The heat conductivity is calculated by the Boltzmann transport equation. We find that the interaction with the substrate drastically reduces the phonon lifetime and completely suppresses the contribution of ZA phon…
We analyze numerically the thermal conductivity of carbon nanoribbons with ideal and rough edges. We demonstrate that edge disorder can lead to a suppression of thermal conductivity by several orders of magnitude. This effect is associated with the edge-induced Anderson localization and suppression of the phonon transport, and it becomes more pronounced for longer nanoribbons and low temperatures.
We study the effect of electron-electron interactions in the optical conductivity of graphene under applied bias and derive a generalization of Elliot's formula, commonly used for semiconductors, for the optical intensity. We show that {\it excitonic resonances} are responsible for several features of the experimentally measured mid-infrared response of graphene such as the increase of the conductivity beyond the "universal" value above the Fermi blocked regime, the broadening of the absorption at the threshold, and the decrease of the optical conductivity at higher frequencies. Our results ar…
We study the effect of disordered ripples on the conductivity of monolayer graphene flakes. We calculate the relaxation times and the Boltzmann conductivities associated with two mechanisms. First, we study the conductivity correction due to an external in-plane magnetic field $B_\parallel$. Due to the irregular local curvature found at graphene sheets deposited over a substrate, $B_\parallel$ can be mapped into an effective random magnetic field perpendicular to the graphene surface. Second, we study the electron momentum relaxation due to intrinsic pseudo magnetic fields originated from defo…
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 investigate optical transitions of non-interacting electron systems consisting of two symmetric energy bands touching each other at the Fermi energy (e.g. graphene at half filling). Optical conductivity is obtained using Kubo formula at zero temperature. We show that for particles whose pseudospin direction is determined solely by the direction of their momentum, the optical conductivity has power law frequency dependence with the exponent $(d-2)/z$ where $d$ is the dimension of the system and $z$ is the dynamical exponent. According to our result two-dimensional systems with the above pseu…
Synthesis of multilayer graphene on copper wires by a chemical vapor deposition method is reported. After copper etching, the multilayer tube collapses forming stripes of graphitic films, their electrical conductance as a function of temperature indicate a semiconductor-like behavior. Using the multilayer graphene stripes, a cross junction is built and owing to its electrical behavior we propose that a tunneling process exists in the device.
We study the effect of SiC substrate on thermal conductivity of epitaxial graphene nanoribbons (GNRs) using the nonequilibrium molecular dynamics method. We show that the substrate has strong interaction with single-layer GNRs during the thermal transport, which largely reduces the thermal conductivity. The thermal conductivity characteristics of suspended GNRs are well preserved in the second GNR layers of bilayer GNR, which has a weak van der Waals interaction with the underlying structures. The out-of-plane phonon mode is found to play a critical role on the thermal conductivity variation o…
We theoretically reveal a new mechanism of light amplification in graphene under the conditions of interband population inversion. It is enabled by the indirect interband transitions, with the photon emission preceded or followed by the scattering on disorder. The emerging contribution to the optical conductivity, which we call the interband Drude conductivity, appears to be negative for the photon energies below the double quasi-Fermi energy of pumped electrons and holes. We find that for the Gaussian correlated distribution of scattering centers, the real part of the net Drude conductivity (…
Observations of terahertz loss to gain switching in transmission through gates on biased graphene sandwiches are explained by response under electron streaming in graphene. Basing on this consideration the terahertz source is proposed consisting of silicon resonator placed on the sandwich with current flow in graphene. It should provide tunable by bias emission in wide terahertz band. The source is direct terahertz analog of tunable microwave laser demonstrated.
As the three-dimensional analogs of graphene, Weyl semimetals display signatures of chiral anomaly which arises from charge pumping between the lowest chiral Landau levels of the Weyl nodes in the presence of parallel electric and magnetic fields. In this work, we study the pseudo chiral anomaly and its transport signatures in graphene ribbon with zigzag edges. Here "pseudo" refers to the case where the inverse of width of zigzag graphene ribbon plays the same role as magnetic field in three-dimensional Weyl semimetals. The valley chiral bands in zigzag graphene ribbons can be introduced by ed…
We present a theory of the influence of band renormalization and excitonic electron-electron interaction effects on the optical conductivity $σ(ω)$ of doped bilayer graphene. Using the Keldysh formalism, we derive a kinetic equation from which we extract numerical and approximate analytic results for $σ(ω)$. Our calculations reveal a previously unrecognized mechanism which couples the Drude and interband response and renormalizes the plasmon frequency, and suggest that screening must play an essential role in explaining the weakly renormalized conductivity seen in recent experiments.
The gapless energy band spectra make the structures based on graphene and graphene bilayers with the population inversion created by optical or injection pumping to be promising media for the interband terahertz (THz) lasing. However, a strong intraband absorption at THz frequencies still poses a challenge for efficient THz lasing. In this paper, we show that in the pumped graphene bilayer structures, the indirect interband radiative transitions accompanied by scattering of carriers caused by disorder can provide a substantial negative contribution to the THz conductivity (together with the di…
The in-plane DC conductivity of twisted bilayer graphene (TBLG) is calculated using an expansion of the real-space Kubo-Bastin conductivity in terms of Chebyshev polynomials. We investigate within a tight-binding (TB) approach the transport properties as a function of rotation angle, applied perpendicular electric field and vacancy disorder. We find that for high-angle twists, the two layers are effectively decoupled, and the minimum conductivity at the Dirac point corresponds to double the value observed in monolayer graphene. This remains valid even in the presence of vacancies, hinting that…
We observe conductivity oscillations with aperiodic spacing to only one side of the tunneling current in a dual-gated graphene field effect transistor with an n-p-n type potential barrier. The spacing and width of these oscillatoins were found to be inconsistent with pure Farbry-Perot-type interferences, but are in quantitative agreement with theoretical predictions that attribute them to resonant tunneling through quasi-bound impurity states. This observation may be understood as another signature of Klein tunneling in graphene heterojunctions and is of importance for future development and m…
We have calculated the optical conductivity of a disorder-free single graphene sheet in the presence of spin-orbit coupling, using the Kubo formalism. Both intrinsic and structural-inversion-asymmetry induced types of spin splitting are considered within a low-energy continuum theory. Analytical results are obtained that allow us to identify distinct features arising from spin-orbit couplings. We point out how optical-conductivity measurements could offer a way to determine the strengths of spin splitting due to various origins in graphene.
Graphene has been proposed as a promising material for future nanoelectronics because of its unique electronic properties. Understanding the scaling behavior of this new nanomaterial under common experimental conditions is of critical importance for developing graphene-based nanoscale devices. We present a comprehensive experimental and theoretical study on the influence of edge disorder and bulk disorder on the minimum conductivity of graphene ribbons. For the first time, we discovered a strong non-monotonic size scaling behavior featuring a peak and saturation minimum conductivity. Through e…
Non-equilibrium molecular dynamics is used to investigate the heat current due to the atomic lattice vibrations in graphene nanoribbons and nanorings under a thermal gradient. We consider a wide range of temperature, nanoribbon widths up to 6nm and the effect of moderate edge disorder. We find that narrow graphene nanorings can efficiently suppress the lattice thermal conductivity at low temperatures (~100K), as compared to nanoribbons of the same width. Remarkably, rough edges do not appear to have a large impact on lattice energy transport through graphene nanorings while nanoribbons seem mo…
We investigate electronic transport in the nitrogen-doped graphene containing different configurations of point defects: singly or doubly substituting N atoms and nitrogen-vacancy complexes. The results are numerically obtained using the quantum-mechanical Kubo-Greenwood formalism. Nitrogen substitutions in graphene lattice are modelled by the scattering potential adopted from the independent self-consistent ab initio calculations. Variety of quantitative and qualitative changes in the conductivity behaviour are revealed for both graphite- and pyridine-type N defects in graphene. For the most …
We report our theoretical calculations on the temperature and energy dependent electrical conductivity of gapped graphene within the framework of Boltzmann transport formalism. Since screening effects have known to be of vital importance in explaining the conductivity of gapless graphene therefore we first worked out the behaviour of the temperature dependent polarization function for gapped graphene as a function of wave vector and band gap, respectively. Polarization of gapped graphene has been compared with that of gapless graphene, bilayer graphene and 2DEG to see the effects of gap. It is…
Parity anomaly is a quantum mechanical effect that the parity symmetry in a two-dimensional classical action is failed to be restored in any regularization of the full quantum theory and is characterized by a half-quantized Hall conductivity. Here we propose a scheme to explore the experimental signature from parity anomaly in the measurement of optical Hall conductivity, in which the optical Hall conductivity is nearly half quantized for a proper range of frequency. The behaviors of optical Hall conductivity are studied for several models, which reveal the appearance of half-quantized Hall co…
We take a wide-angle view of the problem of monolayer graphene where the valley-mixing and the spin-degeneracy lifting are assumed to be possible by wedging in the requisite ingredients, viz. the atomically sharp scatterers and the strong Rashba coupling dominating over the intrinsic spin-orbit coupling. This leads to eight Majorana-like modes (quasi-particles which are self-conjugate) close to the experimentally inaccessible Dirac points. Using Kubo formula we also show that the semi-classical diffusive (longitudinal) conductivity is nearly (2.018 e2/h) at room temperature for the disordered …
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 quantum corrections to the conductivity and the thermopower in monolayer graphene are studied. We use the recursive Green's function method to calculate numerically the conductivity and the thermopower of graphene. We then analyze these weak localization corrections by fitting with the analytical theory as function of the impurity parameters and the gate potential. As a result of the quantum corrections to the thermopower, we find large magnetothermopower which is shown to provide a very sensitive measure of the size and strength of the impurities. We compare these analytical and numerical…
The band structure and the optical conductivity of an ABA (Bernal-type) stacked graphene trilayer are calculated. It is shown that, under appropriate doping, a strong resonant peak develops in the optical conductivity, located at the frequency corresponding to approximately 1.4 times the interlayer hopping energy and caused by the 'nesting' of two nearly parabolic bands in the electronic spectrum. The intensity of this resonant absorption can be controlled by adjusting the gate voltage. The effect is robust with respect to increasing temperature.
A model for the rival mechanisms of hysteresis in graphene channel resistivity on a substrate of different nature dependence on a gate voltage - a direct one (caused by adsorbates with dipole moment on surface and interface) and an inverse one (caused by capture of free carriers from graphene onto localized states on graphene-substrate interface) is proposed. Possible discrimination of these two channels by variation of the gate voltage sweep rate is discussed. Our theory predictions are in good correlation with experimental data, available in literature.
The thermal conductivity of suspended single-layer graphene was measured as a function of temperature using Raman scattering spectroscopy on clean samples prepared directly on a prepatterned substrate by mechanical exfoliation without chemical treatments. The temperature at the laser spot was monitored by the frequency of the Raman 2$D$ band of the Raman scattering spectrum, and the thermal conductivity was deduced by analyzing heat diffusion equations assuming that the substrate is a heat sink at ambient temperature. The obtained thermal conductivity values range from $\sim$1800 Wm$^{-1}$K$^{…
We theoretically examine the effect of carrier-carrier scattering processes (electron-hole and electron-electron) on the intraband radiation absorption and their contribution to the net dynamic conductivity in optically or electrically pumped graphene. We demonstrate that the radiation absorption assisted by the carrier-carrier scattering can be stronger than the Drude absorption due to the carrier scattering on disorder. Since the intraband absorption of radiation effectively competes with its interband amplification, this can substantially affect the conditions of the negative dynamic conduc…
Graphene and single-wall carbon nanotube (SWCNT) have attracted great attention because of their ultra-high thermal conductivity. However, there are few works exploring the relations of their thermal conductivity quantitatively. The carbon nanocone (CNC) is a graded structure fall in between graphene disk (GD) and SWCNT. We perform non-equilibrium molecular dynamics (NEMD) simulation to study the thermal conductivity of CNC with different apex angles, and then compare them with that of GD and SWCNT. Our results show that, different from the homogeneous thermal conductivity in SWCNT, the CNC al…
By using the real-space Green-Kubo formalism we study numerically the electron transport properties of low-fluorinated graphene. At low temperatures the diffuse transport regime is expected to be prevalent, and we found a pronounced electron-hole asymmetry in electrical conductivity as a result of quasi-resonant scattering on the localized states. For the finite temperatures in the variable-range hopping transport regime the interpretation of numerical results leads to the appearance of local minima and maxima of the resistance near the energies of the localized states. A comparison with the e…
We model disorder in graphene by random impurities treated in a coherent-potential approximation. Using the analytically solvable Lloyd model for the disorder distribution, we show that the temperature dependence of the minimum conductivity as well as the temperature dependence of the resistivity at high densities and the density dependence of the respective slopes are consistently explained by a temperature dependent disorder strength $Γ$ consisting of a constant plus a $T$-linear contribution. This finding suggests that at least two contributions to scattering in graphene are important for i…
Graphene exhibits extraordinary electronic and mechanical properties, and extremely high thermal conductivity. Being a very stable atomically thick membrane that can be suspended between two leads, graphene provides a perfect test platform for studying thermal conductivity in two-dimensional systems, which is of primary importance for phonon transport in low-dimensional materials. Here we report experimental measurements and non-equilibrium molecular dynamics simulations of thermal conduction in suspended single layer graphene as a function of both temperature and sample length. Interestingly …
One of the unique properties of graphene is its extremely high mechanical strength. Several studies have shown that the mechanical failure of graphene sheet under a tensile strain is due to the enhancement of the Kohn anomaly of the zone boundary transverse optical phonon modes. In this work, we derive an analytical expression of the Kohn anomaly parameter $α_{\vec{K}}$ of these phonons in graphene deformed by a uniaxial strain along the armchair direction. We show that, the tilt of Dirac cones, induced by the strain, contributes to the enhancement of the Kohn anomaly under a tensile deformati…
Using classical molecular dynamics simulation, we have studied the effect of edge-passivation by hydrogen (H-passivation) and isotope mixture (with random or supperlattice distributions) on the thermal conductivity of rectangular graphene nanoribbons (GNRs) (of several nanometers in size). We found that the thermal conductivity is considerably reduced by the edge H-passivation. We also find that the isotope mixing can reduce the thermal conductivities, with the supperlattice distribution giving rise to more reduction than the random distribution. These results can be useful in nanoscale engine…
Mapping the thermal transport properties of materials at the nanoscale is of critical importance for optimizing heat conduction in nanoscale devices. Several methods to determine the thermal conductivity of materials have been developed, most of them yielding an average value across the sample, thereby disregarding the role of local variations. Here, we present a method for the spatially-resolved assessment of the thermal conductivity of suspended graphene by using a combination of confocal Raman thermometry and a finite-element calculations-based fitting procedure. We demonstrate the working …
Electrons moving in graphene behave as massless Dirac fermions, and they exhibit fascinating low-frequency electrical transport phenomena. Their dynamic response, however, is little known at frequencies above one terahertz (THz). Such knowledge is important not only for a deeper understanding of the Dirac electron quantum transport, but also for graphene applications in ultrahigh speed THz electronics and IR optoelectronics. In this paper, we report the first measurement of high-frequency conductivity of graphene from THz to mid-IR at different carrier concentrations. The conductivity exhibits…
Theoretical predictions and recent experimental results suggest one can engineer spin Hall effect in graphene by enhancing the spin-orbit coupling in the vicinity of an impurity. We use a Chebyshev expansion of the Kubo-Bastin formula to compute the spin conductivity tensor for a tight-binding model of graphene with randomly distributed impurities absorbed on top of carbon atoms. We model the impurity-induced spin-orbit coupling with a graphene-only Hamiltonian that takes into account three different contributions~\cite{Gmitra2013} and show how the spin Hall and longitudinal conductivities dep…
Recently, it was predicted that an RKKY-type interaction between adatoms in graphene can drive an ordering transition to a state with broken sublattice symmetry (arXiv:1004.3678). In this state, due to Bragg scattering of electron waves on the sublattice modulation, a gap opens up at the Dirac point (DP). Here we investigate the effect of ordering on the transport properties, finding that upon transition from disordered state to an ordered state the conductivity is increased (reduced) at energies away (near) DP. This behavior can be understood as a result of coherent Bragg scattering in the or…
