An efficient computational methodology is used to explore charge transport properties in chemically-modified (and randomly disordered) graphene-based materials. The Hamiltonians of various complex forms of graphene are constructed using tight-binding models enriched by first-principles calculations. These atomistic models are further implemented into a real-space order-N Kubo-Greenwood approach, giving access to the main transport length scales (mean free paths, localization lengths) as a function of defect density and charge carrier energy. An extensive investigation is performed for epoxide impurities with specific discussions on both the existence of a minimum semi-classical conductivity and a crossover between weak to strong localization regime. The 2D generalization of the Thouless relationship linking transport length scales is here illustrated based on a realistic disorder model.
Quantum transport properties of disordered graphene with structural defects (Stone-Wales and divacancies) are investigated using a realistic π-π* tight-binding model elaborated from ab initio calculations. Mean free paths and semiclassical conductivities are then computed as a function of the nature and density of defects (using an order-N real-space Kubo-Greenwood method). By increasing of the defect density, the decay of the semiclassical conductivities is predicted to saturate to a minimum value of 4e^2/πh over a large range (plateau) of carrier density (> 0.5 10^{14}cm^{-2}). Additionally,…
A recently proposed statistical model for the effects of decoherence on electron transport manifests a decoherence-driven transition from quantum-coherent localized to ohmic behavior when applied to the one-dimensional Anderson model. Here we derive the resistivity in the ohmic case and show that the transition to localized behavior occurs when the coherence length surpasses a value which only depends on the second-order generalized Lyapunov exponent $ξ^{-1}$. We determine the exact value of $ξ^{-1}$ of an infinite system for arbitrary uncorrelated disorder and electron energy. Likewise all hi…
Local electrical imaging using microwave impedance microscope is performed on graphene in different modalities, yielding a rich hierarchy of the local conductivity. The low-conductivity graphite oxide and its derivatives show significant electronic inhomogeneity. For the conductive chemical graphene, the residual defects lead to a systematic reduction of the microwave signals. In contrast, the signals on pristine graphene agree well with a lumped-element circuit model. The local impedance information can also be used to verify the electrical contact between overlapped graphene pieces.
We study Anderson localization in graphene with short-range disorder using the real-space Kubo-Greenwood method implemented on graphics processing units. Two models of short-range disorder, namely, the Anderson on-site disorder model and the vacancy defect model, are considered. For graphene with Anderson disorder, localization lengths of quasi-one-dimensional systems with various disorder strengths, edge symmetries, and boundary conditions are calculated using the real-space Kubo-Greenwood formalism, showing excellent agreement with independent transfer matrix calculations and superior comput…
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.
Unconventional magneto-transport fingerprints in the quantum Hall regime (with applied magnetic field from one to several tens of Tesla) in chemically functionalized graphene are reported. Upon chemical adsorption of monoatomic oxygen (from 0.5% to few percents), the electron-hole symmetry of Landau levels is broken, while a double-peaked conductivity develops at low-energy, resulting from the formation of critical states conveyed by the random network of defects-induced impurity states. Scaling analysis hints towards the existence of an additional zero-energy quantized Hall conductance platea…
Applying a quasiclassical equation to carriers in graphene we found a way how to distinguish between samples with the domination of short and long range scatterers from the conductivity measurements. The model proposed explains recent transport experiments with chemically doped as well as suspended graphene.
Resonant scatterers such as hydrogen adatoms can strongly enhance the low energy density of states in graphene. Here, we study the impact of these impurities on the electronic screening. We find a two-faced behavior: Kubo formula calculations reveal an increased dielectric function $\varepsilon$ upon creation of midgap states but no metallic divergence of the static $\varepsilon$ at small momentum transfer $q\to 0$. This bad metal behavior manifests also in the dynamic polarization function and can be directly measured by means of electron energy loss spectroscopy. A new length scale $l_c$ bey…
We report observations of the Coulomb drag effect between two effectively 2-d insulating a-Si_{1-x}Nb_{x} films. We find that there only exist a limited range of experimental parameters over which we can measure a sizable linear-response transresistivity (ρ_{d}). The temperature dependence of ρ_{d} is consistent with the layers being Efros-Shklovskii Anderson insulators provided that a 3-d density of states and a localization length smaller than that obtained from the DC layer-conductivity are assumed.
A field theory of the Anderson transition in two dimensional disordered systems with spin-orbit interactions and time-reversal symmetry is developed, in which the proliferation of vortex-like topological defects is essential for localization. The sign of vortex fugacity determines the $Z_2$ topological class of the localized phase. There are two distinct, but equivalent transitions between the metallic phase and the two insulating phases. The critical conductivity and correlation length exponent of these transitions are computed in a $N=1-ε$ expansion in the number of replicas, where for small…
The Anderson localization of thermal phonons has been shown only in few nano-structures with strong random disorder by the exponential decay of transmission to zero and a thermal conductivity maximum when increasing system length. In this work, we present a path to demonstrate the phonon localization with distinctive features in graded superlattices with short-range order and long-range disorder. A thermal conductivity minimum with system length appears due to the exponential decay of transmission to a non-zero constant, which is a feature of partial phonon localization caused by the moderate …
Atomically thin rhenium disulphide (ReS2) is a member of the transition metal dichalcogenide (TMDC) family of materials characterized by weak interlayer coupling and a distorted 1T structure. Here, we report on the electrical transport study of mono- and multilayer ReS2 with polymer electrolyte gating. We find that the conductivity of monolayer ReS2 is completely suppressed at high carrier densities, an unusual feature unique to monolayers, making ReS2 the first example of such a material. While thicker flakes of ReS2 also exhibit a conductivity dome and an insulator-metal-insulator sequence, …
Anderson localization of electron states on graphene lattice with diagonal and off-diagonal (OD) disorder in the absence of magnetic field is investigated by using the standard finite-size scaling analysis. In the presence of diagonal disorder all states are localized as predicted by the scaling theory for two-dimensional systems. In the case of OD disorder, the states at the Dirac point (E=0) are shown to be delocalized due to the specific chiral symmetry, although other states ($E \neq 0$) are still localized. In OD disorder the conductance at E=0 in an $M\times L$ rectangular system at the …
Transport properties of single-layer graphene with correlated one-dimensional defects are studied using the time-dependent real-space Kubo-Greenwood formalism. Such defects are present in epitaxial graphene, comprising atomic terraces and steps due to the substrate morphology, and in polycrystalline chemically-vapor-deposited (CVD) graphene due to the grain boundaries, composed of a periodic array of dislocations, or quasi-periodic nanoripples originated from the metal substrate. The extended line defects are described by the long-range Lorentzian-type scattering potential. The dc conductivity…
Charge carrier transport in single-layer graphene with one-dimensional charged defects is studied theoretically. Extended charged defects, considered an important factor for mobility degradation in chemically-vapor-deposited graphene, are described by a self-consistent Thomas-Fermi potential. A numerical study of electronic transport is performed by means of a time-dependent real-space Kubo approach in honeycomb lattices containing millions of carbon atoms, capturing the linear response of realistic size systems in the highly disordered regime. Our numerical calculations are complemented with …
The anomalous behavior of electron induced phonon transport is investigated using an Anderson-Holstein based dissipative quantum dot setup under two relevant bias situations: (a) a voltage bias in the absence of an electronic temperature gradient and (b) an electronic temperature gradient at zero voltage. It is shown that the direction of phonon transport in the non-linear regime is different in the two cases since the first case facilitates the accumulation of phonons in the dot and the second case leads to the absorption of phonons in the dot. In the linear regime, both the phonon and electr…
The Anderson localization transition is considered at finite temperatures. This includes the electrical conductivity as well as the electronic thermal conductivity and the thermoelectric coefficients. An interesting critical behavior of the latter is found. A method for characterizing the conductivity critical exponent, an important signature of the transition, using the conductivity and thermopower measurements, is outlined.
We report on robust features of the longitudinal conductivity ($σ_{xx}$) of the graphene zero-energy Landau level in presence of disorder and varying magnetic fields. By mixing an Anderson disorder potential with a low density of sublattice impurities, the transition from metallic to insulating states is theoretically explored as a function of Landau-level splitting, using highly efficient real-space methods to compute the Kubo conductivities (both $σ_{xx}$ and Hall $σ_{xy}$). As long as valley-degeneracy is maintained, the obtained critical conductivity $σ_{xx}\simeq 1.4 e^{2}/h$ is robust up…
We numerically analyze the energy level statistics of the Anderson model with Gaussian site disorder and constant hopping. The model is realized on different two-dimensional lattices, namely, the honeycomb, the kagomé, the square, and the triangular lattice. By calculating the well-known statistical measures viz., nearest neighbor spacing distribution, number variance, the partition number and the dc electrical conductivity from Kubo-Greenwood formula, we show that there is clearly a delocalization to localization transition with increasing disorder. Though the statistics in different lattice …
Spin-dependent features in the conductivity of graphene, chemically modified by a random distribution of hydrogen adatoms, are explored theoretically. The spin effects are taken into account using a mean-field self-consistent Hubbard model derived from first-principles calculations. A Kubo-Greenwood transport methodology is used to compute the spin-dependent transport fingerprints of weakly hydrogenated graphene-based systems with realistic sizes. Conductivity responses are obtained for paramagnetic, antiferromagnetic, or ferromagnetic macroscopic states, constructed from the mean-field soluti…
The hallmark property of two-dimensional topological materials is the incredible robustness of the quantized Hall conductivity to disorder. That robustness arises from the fact that in the topological band gap, transport can occur only along the edges modes, which are immune to scattering. However, for sufficiently strong disorder, the band gap closes and the system becomes topologically trivial as all states become localized, such that all transport vanishes -- in accordance with Anderson localization. It therefore came as a surprise when it was suggested that, for a two-dimensional quantum s…
Percolation from Quantum Metric in Flat-Band Delocalization
Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences（中国科学院物理研究所）；University of Chinese Academy of Sciences（中国科学院大学）
We study the effect of extended charge defects in electronic transport properties of graphene. Extended defects are ubiquitous in chemically and epitaxially grown graphene samples due to internal strains associated with the lattice mismatch. We show that at low energies these defects interact quite strongly with the 2D Dirac fermions and have an important effect in the DC-conductivity of these materials.
The electronic thermoelectric coefficients are analyzed in the vicinity of one and two Anderson localization thresholds in three dimensions. For a single mobility edge, we correct and extend previous studies, and find universal approximants which allow to deduce the critical exponent for the zero-temperature conductivity from thermoelectric measurements. In particular, we find that at non-zero low temperatures the Seebeck coefficient and the thermoelectric efficiency can be very large on the "insulating" side, for chemical potentials below the (zero-temperature) localization threshold. Correct…
We study the vibrational, magnetic and transport properties of Few Layer Graphene (FLG) using Raman and electron spin resonance spectroscopy and microwave conductivity measurements. FLG samples were produced using wet chemical exfoliation with different post-processing, namely ultrasound treatment, shear mixing, and magnetic stirring. Raman spectroscopy shows a low intensity D mode which attests a high sample quality. The G mode is present at $1580$ cm$^{-1}$ as expected for graphene. The 2D mode consists of 2 components with varying intensities among the different samples. This is assigned to…
We explore the longitudinal conductivity of graphene at the Dirac point in a strong magnetic field with two types of short-range scatterers: adatoms that mix the valleys and "scalar" impurities that do not mix them. A scattering theory for the Dirac equation is employed to express the conductance of a graphene sample as a function of impurity coordinates; an averaging over impurity positions is then performed numerically. The conductivity $σ$ is equal to the ballistic value $4e^2/πh$ for each disorder realization provided the number of flux quanta considerably exceeds the number of impurities.…
The electric conductance of a strip of undoped graphene increases in the presence of a disorder potential, which is smooth on atomic scales. The phenomenon is attributed to impurity-assisted resonant tunneling of massless Dirac fermions. Employing the transfer matrix approach we demonstrate the resonant character of the conductivity enhancement in the presence of a single impurity. We also calculate the two-terminal conductivity for the model with one-dimensional fluctuations of disorder potential by a mapping onto a problem of Anderson localization.
The possibility of tuning the vibrational properties and the thermal conductivity of layered van der Waals materials either chemically or mechanically paves the way to significant advances in nanoscale heat management. Using first-principles calculations we investigate the modulation of heat transport in MoS2 by lithium intercalation and cross-plane strain. We find that both the in-plane and cross-plane thermal conductivity (kr, kz) of MoS2 are extremely sensitive to both strain and electrochemical intercalation. Combining lithium intercalation and strain, the in-plane and cross-plane thermal …
We consider d dimensional systems which are localized in the absence of interactions, but whose single particle (SP) localization length diverges near a discrete set of (single-particle) energies, with critical exponent ν. This class includes disordered systems with intrinsic- or symmetry-protected- topological bands, such as disordered integer quantum Hall insulators. In the absence of interactions, such marginally localized systems exhibit anomalous properties intermediate between localized and extended including: vanishing DC conductivity but sub-diffusive dynamics, and fractal entanglement…
We extend the microscopic Fermi-liquid theory for the Anderson impurity [Phys.\ Rev.\ B {\bf 64}, 153305 (2001)] to explore non-equilibrium transport at finite magnetic fields. Using the Ward identities in the Keldysh formalism with the analytic and anti-symmetric properties of the vertex function, the spin-dependent Fermi-liquid corrections of order $T^2$ and $(eV)^2$ are determined at low temperatures $T$ and low bias voltages $eV$. Away from half-filling, these corrections can be expressed in terms of the linear and non-linear static susceptibilities which represent the two-body and three-b…
At low values of external doping graphene displays a wealth of unconventional transport properties. Perhaps most strikingly, it supports a robust 'metallic' regime, with universal conductance of the order of the conductance quantum. We here apply a combination of mean field and bosonization methods to explore the large scale transport properties of the system. We find that, irrespective of the doping level, disordered graphene is subject to common mechanisms of Anderson localization. However, at low doping a number of renormalization mechanisms conspire to protect the conductivity of the syste…
We propose an extensive report on the simulation of electronic transport in 2D graphene in presence of structural defects. Amongst the large variety of such defects in sp$^2$ carbon-based materials, we focus on the Stone-Wales defect and on two divacancy-type reconstructed defects. First, based on ab initio calculations, a tight-binding model is derived to describe the electronic structure of these defects. Then, semiclassical transport properties including the elastic mean free paths, mobilities and conductivities are computed using an order-N real-space Kubo-Greenwood method. A plateau of mi…
We studied effects of disorder in a three dimensional layered Chern insulator. By calculating the localization length and density of states numerically, we found two distict types of metallic phases between Anderson insulator and Chern insulator; one is diffusive metallic (DM) phase and the other is renormalized Weyl semimetal (WSM) phase. We show that longitudinal conductivity at the zero energy state remains finite in the renormalizd WSM phase as well as in the DM phase, while goes to zero at a semimetal-metal quantum phase transition point between these two. Based on the Einstein relation c…
Thermoelectric transport and current noise through a multilevel Anderson impurity: Three-body Fermi-liquid corrections in quantum dots and magnetic alloys
Large Nernst effect in chemically derived multilayer graphene at millitesla magnetic fields
Moscow Institute of Physics and Technology（莫斯科物理技术学院）；Joint-Stock Company ”Skanda Rus”（斯坎达鲁斯股份公司）；National Research Nuclear University “MEPhI”（国立核研究大学“莫斯科工程物理学院”）；Institute of Microelectronics Technology and High Purity Materials, Russian Academy of Sciences（俄罗斯科学院微电子技术与高纯材料研究所）
It is commonly believed that a non-interacting disordered electronic system can undergo only the Anderson metal-insulator transition. It has been suggested, however, that a broad class of systems can display disorder-driven transitions distinct from Anderson localisation that have manifestations in the disorder-averaged density of states, conductivity and other observables. Such transitions have received particular attention in the context of recently discovered 3D Weyl and Dirac materials but have also been predicted in cold-atom systems with long-range interactions, quantum kicked rotors and…
We study a system of fermions in one spatial dimension with linearly confining interactions and short-range disorder. We focus on the zero temperature properties of this system, which we characterize using bosonization and the Gaussian variational method. We compute the static compressibility and ac conductivity, and thereby demonstrate that the system is incompressible, but exhibits gapless optical conductivity. This corresponds to a "Mott-glass" state, distinct from an Anderson and a fully gapped Mott insulator, arising due to the interplay of disorder and charge confinement. We argue that t…
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) to electron charge conductivity and lattice thermal conductivity using the atomistic Green function approach. The electron and phonon transmissions are analyzed as a function of the length of the disordered nanostructures. The thermal conductance as a function of temperature is calculated for different lengths. Analysis of the transmission probabilities as a …
We present a microscopic theory of transport in quasi-periodically driven environments (`kicked rotors'), as realized in recent atom optic experiments. We find that the behavior of these systems depends sensitively on the value of Planck's constant $\tilde h$: for irrational values of $\tilde h/(4π)$ they fall into the universality class of disordered electronic systems and we derive the microscopic theory of the ensuing localization phenomena. In contrast, for rational values the rotor-Anderson insulator acquires an infinite (static) conductivity and turns into a `super-metal'. Signatures of …
In this paper we point out that in addition to the density of states effect proposed in Ref.\cite{durst,anderson} one should consider the effect of constructive interference between the multi-MM-wave-photon processes shown in Fig.2. This process enhances the dark value of the conductivity. When the sample is very pure, i.e., when the transport life time is very long, this interference effect quickly diminishes as the MM-wave frequency deviates from the cyclotron frequency. In this paper we also present the linear response theory in the presence of strong harmonic time-dependent perturbation.
We study theoretically the electrical transport of two-dimensional (2D) massive Dirac fermions, which are described by the 2 by 2 massive Dirac Hamiltonian, and with a gap at the charge neutrality point. Through analytical diagrammatical calculations of electrical conductivity in the presence of long range Coulomb scattering centers, we show that attendant with the variation of the Berry phase from 0 to π as the Fermi energy moves away from the Dirac point/band boundary, a continuous Anderson-localization (AL) to weak-localization (WL), and further to weak anti-localization (WAL) transition oc…
