arXiv subjects

M. I. Katsnelson

Publications and source records attributed to M. I. Katsnelson.

At least 235 records · Page 13Linked to original sources

arXiv2011

Chiral tunneling in single and bilayer graphene

We review chiral (Klein) tunneling in single-layer and bilayer graphene and present its semiclassical theory, including the Berry phase and the Maslov index. Peculiarities of the chiral tunneling are naturally explained in terms of classical phase space. In a one-dimensional geometry we reduced the original Dirac equation, describing the dynamics of charge carriers in the single layer graphene, to an effective Schrödinger equation with a complex potential. This allowed us to study tunneling in details and obtain analytic formulas. Our predictions are compared with numerical results. We have also demonstrated that, for the case of asymmetric n-p-n junction in single layer graphene, there is total transmission for normal incidence only, side resonances are suppressed.

cond-mat.mes-hall↗

arXiv2011

Strength of effective Coulomb interactions in graphene and graphite

To obtain an effective many-body model of graphene and related materials from first principles we calculate the partially screened frequency dependent Coulomb interaction. In graphene, the effective on-site (Hubbard) interaction is U_00 = 9.3 eV in close vicinity to the critical value separating conducting graphene from an insulating phase emphasizing the importance of non-local Coulomb terms. The nearest-neighbor Coulomb interaction strength is computed to U_01 = 5.5 eV. In the long wavelength limit, we find the effective background dielectric constant of graphite to be ε= 2.5 in very good agreement with experiment.

cond-mat.mes-hall↗

arXiv2011

Gauge fields at the surface of topological insulators

We study the emergence of gauge couplings in the surface states of topological insulators. We show that gauge fields arise when a three dimensional strong topological insulator is coated with an easy-plane ferromagnet with magnetization parallel to the surface. We analyze the modification induced by the gauge fields on the surface spectrum for some specific magnetic configurations.

cond-mat.mtrl-sci↗

arXiv2011

Enhancement of the Curie temperature in small particles of weak itinerant ferromagnets

Self consistent renormalization theory of itinerant ferromagnets is used to calculate the Curie temperature of clusters down to approximately 100 atoms in size. In these clusters the electrons responsible for the magnetic properties are assumed to be (weakly) itinerant. It is shown that the Curie temperature can be larger than in the bulk. The effect originates from the phenomenon of level repulsion in chaotic quantum systems, which suppresses spin fluctuations. Since the latter destroy the magnetic order the resulting Curie temperature increases, contrary to expectations of the naive Stoner picture. The calculations are done assuming that the energy levels of the cluster are described by the Gaussian Orthogonal Ensemble of random matrix theory.

cond-mat.mes-hall↗

arXiv2011

Gaps tunable by electrostatic gates in strained graphene

We show that when the pseudomagnetic fields created by long wavelength deformations are appropriately coupled with a scalar electric potential, a significant energy gap can emerge due to the formation of a Haldane state. Ramifications of this physical effect are examined through the study of various strain geometries commonly seen in experiments, such as strain superlattices and wrinkled suspended graphene. Of particular technological importance, we consider setup where this gap can be tunable through electrostatic gates, allowing for the design of electronic devices not realizable with other materials.

cond-mat.mes-hall↗

arXiv2011

Two-Site Kondo Effect in Atomic Chains

Linear CoCu_nCo clusters on Cu(111) are fabricated by means of atomic manipulation. They represent a two-site Kondo system with tunable interaction. Scanning tunneling spectroscopy reveals oscillations of the Kondo temperature T_K with the number n of Cu atoms for n>=3. Density functional calculations show that the Ruderman-Kittel-Kasuya-Yosida interaction mediated by the Cu chains causes the oscillations. Calculations find ferromagnetic and antiferromagnetic interaction for n=1 and 2, respectively. Both interactions lead to a decrease of T_K as experimentally observed.

cond-mat.mtrl-sci↗

arXiv2011

Disorder induced metallicity in amorphous graphene

We predict a transition to metallicity when a sufficient amount of disorder is induced in graphene. Calculations were performed by means of a first principles stochastic quench method. The resulting amorphous graphene can be seen as nanopatches of graphene that are connected by a network of disordered small and large carbon rings. The buckling is minimal and we believe that it is a result of averaging of counteracting random in-plane stress forces. The linear response conductance is obtained by a model theory as function of lattice distortions. Such metallic behaviour is a much desired property for functionalisation of graphene to realize a transparent conductor, e.g. suitable for touch-screen devices.

cond-mat.mtrl-sci↗

arXiv2011

Giant Nonlocality near the Dirac Point in Graphene

Transport measurements have been a powerful tool for uncovering new electronic phenomena in graphene. We report nonlocal measurements performed in the Hall bar geometry with voltage probes far away from the classical path of charge flow. We observe a large nonlocal response near the Dirac point in fields as low as 0.1T, which persists up to room temperature. The nonlocality is consistent with the long-range flavor currents induced by lifting of spin/valley degeneracy. The effect is expected to contribute strongly to all magnetotransport phenomena near the neutrality point.

cond-mat.mes-hall↗

arXiv2011

Melting of graphene: from two to one dimension

The high temperature behaviour of graphene is studied by atomistic simulations based on an accurate interatomic potential for carbon. We find that clustering of Stone-Wales defects and formation of octagons are the first steps in the process of melting which proceeds via the formation of carbon chains. The molten state forms a three-dimensional network of entangled chains rather than a simple liquid. The melting temperature estimated from the two-dimensional Lindemann criterion and from extrapolation of our simulation for different heating rates is about 4900 K.

cond-mat.mtrl-sci↗

arXiv2011

sp-Electron Magnetic Clusters with a Large Spin in Graphene

Motivated by recent experimental data (Sepioni, M. et al. Phys. Rev. Lett. 2010, 105, 207205), we have studied the possibility of forming magnetic clusters with spin S> 1/2 on graphene by adsorption of hydrogen atoms or hydroxyl groups. Migration of hydrogen atoms and hydroxyl groups on the surface of graphene during the delamination of HOPG led to the formation of seven-atom or seven-OH-group clusters with S=5/2 that were of a special interest. The coincidence of symmetry of the clusters with the graphene lattice strengthens the stability of the cluster. For (OH)7 clusters that were situated greater than 3 nm from one another, the reconstruction barrier to a nonmagnetic configuration was approximately 0.4 eV, whereas for H7 clusters, there was no barrier and the high-spin state was unstable. Stability of the high-spin clusters increased if they were formed on top of ripples. Exchange interactions between the clusters were studied and we have shown that the ferromagnetic state is improbable. The role of the chemical composition of the solvent used for the delamination of graphite is discussed.

cond-mat.mes-hall↗

arXiv2011

Temperature dependent resistivity in bilayer graphene due to flexural phonons

We have studied electron scattering by out-of-plane (flexural) phonons in doped suspended bilayer graphene. We have found the bilayer membrane to follow the qualitative behavior of the monolayer cousin. In the bilayer, different electronic structure combine with different electron-phonon coupling to give the same parametric dependence in resistivity, and in particular the same temperature $T$ behavior. In parallel with the single layer, flexural phonons dominate the phonon contribution to resistivity in the absence of strain, where a density independent mobility is obtained. This contribution is strongly suppressed by tension, and in-plane phonons become the dominant contribution in strained samples. Among the quantitative differences an important one has been identified: room $T$ mobility in bilayer graphene is substantially higher than in monolayer. The origin of quantitative differences has been unveiled.

cond-mat.mtrl-sci↗

arXiv2011

Graphene adhesion on mica: Role of surface morphology

We investigate theoretically the adhesion and electronic properties of graphene on a muscovite mica surface using the density functional theory (DFT) with van der Waals (vdW) interactions taken into account (the vdW-DF approach). We found that irregularities in the local structure of cleaved mica surface provide different mechanisms for the mica-graphene binding. By assuming electroneutrality for both surfaces, the binding is mainly of vdW nature, barely exceeding thermal energy per carbon atom at room temperature. In contrast, if potassium atoms are non uniformly distributed on mica, the different regions of the surface give rise to $n$- or $p$-type doping of graphene. In turn, an additional interaction arises between the surfaces, significantly increasing the adhesion. For each case the electronic states of graphene remain unaltered by the adhesion. It is expected, however, that the Fermi level of graphene supported on realistic mica could be shifted relative to the Dirac point due to asymmetry in the charge doping. Obtained variations of the distance between graphene and mica for different regions of the surface are found to be consistent with recent atomic force microscopy experiments. A relative flatness of mica and the absence of interlayer covalent bonding in the mica-graphene system make this pair a promising candidate for practical use.

cond-mat.mes-hall↗

arXiv2011

Quantum transport via evanescent waves in undoped graphene

Charge carriers in graphene are chiral quasiparticles ("massless Dirac fermions"). Graphene provides therefore an amazing opportunity to study subtle quantum relativistic effects in condensed matter experiment. Here I review a theory of one of these unusual features of graphene, a "pseudodiffusive" transport in the limit of zero charge carrier concentration, which is related to existence of zero-modes of the Dirac operator and to the Zitterbewegung of unltrarelativistic particles. A conformal mapping technique is a powerful mathematical tool to study these phenomena, as demonstrated here, using the Aharonov-Bohm effect in graphene rings with Corbino geometry as an example.

cond-mat.mes-hall↗

arXiv2010

Electron energy spectrum of the spin-liquid state in a frustrated Hubbard model

Non-local correlation effects in the half-filled Hubbard model on an isotropic triangular lattice are studied within a spin polarized extension of the dual fermion approach. A competition between the antiferromagnetic non-collinear and the spin liquid states is strongly enhanced by an incorporation of a k-dependent self-energy beyond the local dynamical mean-field theory. The dual fermion correc- tions drastically decrease the energy of a spin liquid state while leaving the non-collinear magnetic states almost non-affected. This makes the spin liquid to become a preferable state in a certain interval of interaction strength of an order of the magnitude of a bandwidth. The spectral function of the spin-liquid Mott insulator is determined by a formation of local singlets which results in the energy gap of about twice larger than that of the 120 degrees antiferromagnetic Neel state.

cond-mat.str-el↗

arXiv2010

Dual-Fermion approach to Non-equilibrium strongly correlated problems

We present a generalization of the recently developed dual fermion approach introduced for correlated lattices to non-equilibrium problems. In its local limit, the approach has been used to devise an efficient impurity solver, the superperturbation solver for the Anderson impurity model (AIM). Here we show that the general dual perturbation theory can be formulated on the Keldysh contour. Starting from a reference Hamiltonian system, in which the time-dependent solution is found by exact diagonalization, we make a dual perturbation expansion in order to account for the relaxation effects from the fermionic bath. Simple test results for closed as well as open quantum systems in a fermionic bath are presented.

cond-mat.str-el↗

arXiv2010

Flexuron, a self-trapped state of electron in crystalline membranes

Self-trapping of an electron due to its interaction with bending fluctuations in a flexible crystalline membrane is considered. Due to the dependence of the electron energy on the corrugations of the membrane, the electron can create around itself an anomalously flat (or anomalously corrugated, depending on the sign of the interaction constant) region and be confined there. Using the Feynman path integral approach, the autolocalization energy and the size of the self-trapped state (flexuron) are estimated. It is shown that typically the size of the flexuron is of the order of the wavelength of fluctuations at the border between harmonic and anharmonic regimes. The flexuron states are connected with the fluctuation tail of the electron density-of-states, the asymptotic behavior of this tail being determined by the exponent of the renormalized bending rigidity.

cond-mat.mes-hall↗

arXiv2010

Effect of ligand substitution on the exchange interactions in {Mn12}-type single-molecule magnets

We investigate how the ligand substitution affects the intra-molecular spin exchange interactions, studying a prototypal family of single-molecule magnets comprising dodecanuclear cluster molecules [Mn12O12(COOR)16]. We identify a simple scheme based on accumulated Pauling electronegativity numbers (a.e.n.) of the carboxylate ligand groups (R). The redistribution of the electron density, controlled by a.e.n. of a ligand, changes the degree of hybridization between 3d electrons of manganese and 2p electrons of oxygen atoms, thus changing the exchange interactions. This scheme, despite its conceptual simplicity, provides a strong correlation with the exchange energies associated with carboxylate bridges, and is confirmed by the electronic structure calculations taking into account the Coulomb correlations in magnetic molecules.

cond-mat.str-el↗

arXiv2010

Fluorographene: Two Dimensional Counterpart of Teflon

We report a stoichiometric derivative of graphene with a fluorine atom attached to each carbon. Raman, optical, structural, micromechanical and transport studies show that the material is qualitatively different from the known graphene-based nonstoichiometric derivatives. Fluorographene is a high-quality insulator (resistivity >10^12 Ohm per square) with an optical gap of 3 eV. It inherits the mechanical strength of graphene, exhibiting Young's modulus of 100 N/m and sustaining strains of 15%. Fluorographene is inert and stable up to 400C even in air, similar to Teflon.

cond-mat.mtrl-sci↗