arXiv subjects

I. V. Zozoulenko

Publications and source records attributed to I. V. Zozoulenko.

At least 19 recordsLinked to original sources

arXiv2014

Conductivity of epitaxial and CVD graphene with correlated line defects

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 is calculated numerically for different cases of distribution of line defects. This includes a random (uncorrelated) and a correlated distribution with a prevailing direction in the orientation of lines. The anisotropy of the conductivity along and across the line defects is revealed, which agrees with experimental measurements for epitaxial graphene grown on SiC. We performed a detailed study of the conductivity for different defect correlations, introducing the correlation angle alpha_max (i.e. the maximum possible angle between any two lines). We find that for a given electron density, the relative enhancement of the conductivity for the case of fully correlated line defects in comparison to the case of uncorrelated ones is larger for a higher defect density. Finally, we study the conductivity of realistic samples where both extended line defects as well as point-like scatterers such as adatoms and charged impurities are presented.

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arXiv2013

Electron interaction, charging and screening in grain boundaries in graphene

Electronic, transport, and spin properties of grain boundaries (GBs) are investigated in electrostatically doped graphene at finite electron densities within the Hartree and Hubbard approximations. We demonstrate that depending on the character of the GBs, the states residing on them can have a metallic character with a zero group velocity or can be fully populated losing the ability to carry a current. These states show qualitatively different features in charge accumulation and spin polarization. We also demonstrate that the semiclassical Thomas-Fermi approach provides a satisfactory approximation to the calculated self-consistent potential. The conductance of GBs is reduced due to enhanced backscattering from this potential.

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arXiv2013

Effect of charged line defects on conductivity in graphene: numerical Kubo and analytical Boltzmann approaches

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 a kinetic transport theory describing charge transport in the weak scattering limit. The semiclassical transport lifetimes are obtained by computing scattered amplitudes within the second Born approximation. The transport electron-hole asymmetry found in the semiclassical approach is consistent with the Kubo calculations. In the strong scattering regime, the conductivity is found to be a sublinear function of electronic density and weakly dependent on the Thomas-Fermi screening wavelength. We attribute this atypical behavior to the extended nature of one-dimensional charged defects. Our results are consistent with recent experimental reports.

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arXiv2012

Interaction-induced enhancement of $g$-factor in graphene

We study the effect of electron interaction on the spin-splitting and the $g$-factor in graphene in perpendicular magnetic field using the Hartree and Hubbard approximations within the Thomas-Fermi model. We found that the $g$-factor is enhanced in comparison to its free electron value $g=2$ and oscillates as a function of the filling factor $ν$ in the range $2\leq g^{\ast}\lesssim 4$ reaching maxima at even $ν$ and minima at odd $ν$. We outline the role of charged impurities in the substrate, which are shown to suppress the oscillations of the $g^{\ast}$-factor. This effect becomes especially pronounced with the increase of the impurity concentration, when the effective $g$-factor becomes independent of the filling factor reaching a value of $g^{\ast}\approx 2.3$. A relation to the recent experiment is discussed.

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arXiv2012

Spin polarization and g-factor enhancement in graphene nanoribbons in magnetic field

We provide a systematic quantitative description of spin polarization in armchair and zigzag graphene nanoribbons in a perpendicular magnetic field. We first address spinless electrons within the Hartree approximation studying the evolution of the magnetoband structure and formation of the compressible strips. We discuss the potential profile and the density distribution near the edges and the difference and similarities between armchair and zigzag edges. Accounting for the Zeeman interaction and describing the spin effects via the Hubbard term we study the spin-resolved subband structure and relate the spin polarization of the system at hand to the formation of the compressible strips for the case of spinless electrons. At high magnetic field the calculated effective g-factor varies around a value of ~2.25 for armchair nanoribbons and ~3 for zigzag nanoribbons. An important finding is that in zigzag nanoribbons the zero-energy mode remains pinned to the Fermi-energy and becomes fully spin-polarized for all magnetic fields, which, in turn, leads to a strong spin polarization of the electron density near the zigzag edge.

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arXiv2012

Influence of correlated impurities on conductivity of graphene sheets: Time-dependent real-space Kubo approach

Exact numerical calculations of the conductivity of graphene sheets with random and correlated distributions of disorders have been performed using the time-dependent real-space Kubo formalism. The disorder was modeled by the long-range Gaussian potential describing screened charged impurities and by the short-range potential describing neutral adatoms both in the weak and strong scattering regime. Our central result is that correlation in the spatial distribution for the strong short-range scatterers and for the long-range Gaussian potential do not lead to any enhancement of the conductivity in comparison to the uncorrelated case. Our results strongly indicate that the temperature enhancement of the conductivity reported in the recent study (Yan and Fuhrer, Phys. Rev. Lett. 107, 206601 (2011)) and attributed to the effect of dopant correlations was most likely caused by other factors not related to the correlations in the scattering potential.

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arXiv2011

Geometric magnetoconductance dips by edge roughness in graphene nanoribbons

The magnetoconductance of graphene nanoribbons with rough zigzag and armchair edges is studied by numerical simulations. nanoribbons with sufficiently small bulk disorder show a pronounced magnetoconductance minimum at cyclotron radii close to the ribbon width, in close analogy to the wire peak observed in conventional semiconductor quantum wires. In zigzag nanoribbons, this feature becomes visible only above a threshold amplitude of the edge roughness, as a consequence of the reduced current density close to the edges.

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arXiv2011

Conductivity and scattering in graphene bilayers: numerically exact results vs. Boltzmann approach

We derive analytical expressions for the conductivity of bilayer graphene (BLG) using the Boltzmann approach within the the Born approximation for a model of Gaussian disorders describing both short- and long-range impurity scattering. The range of validity of the Born approximation is established by comparing the analytical results to exact tight-binding numerical calculations. A comparison of the obtained density dependencies of the conductivity with experimental data shows that the BLG samples investigated experimentally so far are in the quantum scattering regime where the Fermi wavelength exceeds the effective impurity range. In this regime both short- and long-range scattering lead to the same linear density dependence of the conductivity. Our calculations imply that bilayer and single layer graphene have the same scattering mechanisms. We also provide an upper limit for the effective, density dependent spatial extension of the scatterers present in the experiments.

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arXiv2011

Electronic properties of quantum dots formed by magnetic double barriers in quantum wires

The transport through a quantum wire exposed to two magnetic spikes in series is modeled. We demonstrate that quantum dots can be formed this way which couple to the leads via magnetic barriers. Conceptually, all quantum dot states are accessible by transport experiments. The simulations show Breit-Wigner resonances in the closed regime, while Fano resonances appear as soon as one open transmission channel is present. The system allows to tune the dot's confinement potential from sub-parabolic to superparabolic by experimentally accessible parameters.

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arXiv2011

Interacting electrons in graphene nanoribbons in the lowest Landau level

We study the effect of electron-electron interaction and spin on electronic and transport properties of gated graphene nanoribbons (GNRs) in a perpendicular magnetic field in the regime of the lowest Landau level (LL). The electron-electron interaction is taken into account using the Hartree and Hubbard approximations, and the conductance of GNRs is calculated on the basis of the recursive Greens function technique within the Landauer formalism. We demonstrate that, in comparison to the one-electron picture, electron-electron interaction leads to the drastic changes in the dispersion relation and structure of propagating states in the regime of the lowest LL showing a formation of the compressible strip and opening of additional conductive channels in the middle of the ribbon. We show that the latter are very sensitive to disorder and get scattered even if the concentration of disorder is moderate. In contrast, the edge states transport is very robust and can not be suppressed even in the presence of a strong spin-flipping.

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arXiv2011

Spectrum of pi electrons in bilayer graphene nanoribbons and nanotubes: an analytical approach

We present an analytical description of pi electrons of a finite size bilayer graphene within a framework of the tight-binding model. The bilayered structures considered here are characterized by a rectangular geometry and have a finite size in one or both directions with armchair- and zigzag-shaped edges. We provide an exact analytical description of the spectrum of pi electrons in the zigzag and armchair bilayer graphene nanoribbons and nanotubes. We analyze the dispersion relations, the density of states, and the conductance quantization.

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arXiv2010

Conductivity of a graphene strip: width and gate-voltage dependencies

We study the conductivity of a graphene strip taking into account electrostatically-induced charge accumulation on its edges. Using a local dependency of the conductivity on the carrier concentration we find that the electrostatic size effect in doped graphene strip of the width of 0.5 - 3 $% μ$m can result in a significant (about 40%) enhancement of the effective conductivity in comparison to the infinitely wide samples. This effect should be taken into account both in the device simulation as well as for verification of scattering mechanisms in graphene.

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arXiv2010

Generic suppression of conductance quantization of interacting electrons in graphene nanoribbons in a perpendicular magnetic field

The effects of electron interaction on the magnetoconductance of graphene nanoribbons (GNRs) are studied within the Hartree approximation. We find that a perpendicular magnetic field leads to a suppression instead of an expected improvement of the quantization. This suppression is traced back to interaction-induced modifications of the band structure leading to the formation of compressible strips in the middle of GNRs. It is also shown that the hard wall confinement combined with electron interaction generates overlaps between forward and backward propagating states, which may significantly enhance backscattering in realistic GNRs. The relation to available experiments is discussed.

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arXiv2010

Effect of short- and long-range scattering in the conductivity of graphene: Boltzmann approach vs tight-binding calculations

We present a comparative study of the density dependence of the conductivity of graphene sheets calculated in the tight-binding (TB) Landauer approach and on the basis of the Boltzmann theory. The TB calculations are found to give the same density dependence of the conductivity, $σ\sim n$, for short-range and long-range Gaussian scatterers. In the case of short-range scattering the TB calculations are in agreement with the predictions of the Boltzmann theory going beyond the Born approximation, but in qualitative and quantitative disagreement with the standard Boltzmann approach within the Born approximation, predicting $σ= $ const. Even for the long-range Gaussian potential in a parameter range corresponding to realistic systems the standard Boltzmann predictions are in quantitative and qualitative disagreement with the TB results. This questions the applicability of the standard Boltzmann approach within the Born approximation, commonly used for the interpretation of the results of experimental studies of the transport in graphene.

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arXiv2010

Interactions and screening in gated bilayer graphene nanoribbons

The effects of Coulomb interactions on the electronic properties of bilayer graphene nanoribbons (BGNs) covered by a gate electrode are studied theoretically. The electron density distribution and the potential profile are calculated self-consistently within the Hartree approximation. A comparison to their single-particle counterparts reveals the effects of interactions and screening. Due to the finite width of the nanoribbon in combination with electronic repulsion, the gate-induced electrons tend to accumulate along the BGN edges where the potential assumes a sharp triangular shape. This has a profound effect on the energy gap between electron and hole bands, which depends nonmonotonously on the gate voltage and collapses at intermediate electric fields. We interpret this behavior in terms of interaction-induced warping of the energy dispersion.

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arXiv2009

Transition from ballistic to diffusive behavior of graphene ribbons in the presence of warping and charged impurities

We study the effects of the long-range disorder potential and warping on the conductivity and mobility of graphene ribbons using the Landauer formalism and the tight-binding p-orbital Hamiltonian. We demonstrate that as the length of the structure increases the system undergoes a transition from the ballistic to the diffusive regime. This is reflected in the calculated electron density dependencies of the conductivity and the mobility. In particular, we show that the mobility of graphene ribbons varies as mu(n) n^(-lambda), with 0<lambda<0.5. The exponent lambda depends on the length of the system with lambda=0.5 corresponding to short structures in the ballistic regime, whereas the diffusive regime lambda=0 (when the mobility is independent on the electron density) is reached for sufficiently long structures. Our results can be used for the interpretation of experimental data when the value of lambda can be used to distinguish the transport regime of the system (i.e. ballistic, quasi-ballistic or diffusive). Based on our findings we discuss available experimental results.

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arXiv2009

Quantized magnetic confinement in quantum wires

Ballistic quantum wires are exposed to longitudinal profiles of perpendicular magnetic fields composed of a spike (magnetic barrier) and a homogeneous part. An asymmetric magnetoconductance peak as a function of the homogeneous magnetic field is found, comprising quantized conductance steps in the interval where the homogeneous magnetic field and the magnetic barrier have identical polarities, and a characteristic shoulder with several resonances in the interval of opposite polarities. The observations are interpreted in terms of inhomogeneous diamagnetic shifts of the quantum wire modes leading to magnetic confinement.

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arXiv2009

Capacitance of graphene nanoribbons

We present an analytical theory for the gate electrostatics and the classical and quantum capacitance of the graphene nanoribbons (GNRs) and compare it with the exact self-consistent numerical calculations based on the tight-binding p-orbital Hamiltonian within the Hartree approximation. We demonstrate that the analytical theory is in a good qualitative (and in some aspects quantitative) agreement with the exact calculations. There are however some important discrepancies. In order to understand the origin of these discrepancies we investigate the self-consistent electronic structure and charge density distribution in the nanoribbons and relate the above discrepancy to the inability of the simple electrostatic model to capture the classical gate electrostatics of the GNRs. In turn, the failure of the classical electrostatics is traced to the quantum mechanical effects leading to the significant modification of the self-consistent charge distribution in comparison to the non-interacting electron description. The role of electron-electron interaction in the electronic structure and the capacitance of the GNRs is discussed. Our exact numerical calculations show that the density distribution and the potential profile in the GNRs are qualitatively different from those in conventional split-gate quantum wires; at the same time, the electron distribution and the potential profile in the GNRs show qualitatively similar features to those in the cleaved-edge overgrown quantum wires. Finally, we discuss an experimental extraction of the quantum capacitance from experimental data.

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