arXiv subjects

M. I. Katsnelson

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

At least 343 records · Page 19Linked to original sources

arXiv2007

Molecular Doping of Graphene

Graphene, a one-atom thick zero gap semiconductor [1, 2], has been attracting an increasing interest due to its remarkable physical properties ranging from an electron spectrum resembling relativistic dynamics [3-12] to ballistic transport under ambient conditions [1-4]. The latter makes graphene a promising material for future electronics and the recently demonstrated possibility of chemical doping without significant change in mobility has improved graphene's prospects further [13]. However, to find optimal dopants and, more generally, to progress towards graphene-based electronics requires understanding the physical mechanism behind the chemical doping, which has been lacking so far. Here, we present the first joint experimental and theoretical investigation of adsorbates on graphene. We elucidate a general relation between the doping strength and whether or not adsorbates have a magnetic moment: The paramagnetic single NO2 molecule is found to be a strong acceptor, whereas its diamagnetic dimer N2O4 causes only weak doping. This effect is related to the peculiar density of states of graphene, which provides an ideal situation for model studies of doping effects in semiconductors. Furthermore, we explain recent results on its "chemical sensor" properties, in particular, the possibility to detect a single NO2 molecule [13].

cond-mat.mes-hall↗

arXiv2007

Anharmonic magnetic deformation of self-assembled molecular nanocapsules

High magnetic fields were used to deform spherical nanocapsules, self-assembled from bola-amphiphilic sexithiophene molecules. At low fields the deformation -- measured through linear birefringence -- scales quadratically with the capsule radius and with the magnetic field strength. These data confirm a long standing theoretical prediction (W. Helfrich, Phys. Lett. {\bf 43A}, 409 (1973)), and permits the determination of the bending rigidity of the capsules as (2.6$\pm$0.8)$\times 10^{-21}$ J. At high fields, an enhanced rigidity is found which cannot be explained within the Helfrich model. We propose a complete form of the free energy functional that accounts for this behaviour, and allows discussion of the formation and stability of nanocapsules in solution.

cond-mat.soft↗

arXiv2007

Half-Metallic Ferromagnetism and the spin polarization in CrO$_2$

We present electronic structure calculations in combination with local and non-local many-body correlation effects for the half-metallic ferromagnet CrO$_2$. Finite-temperature Dynamical Mean Field Theory results show the existence of non-quasiparticle states, which were recently observed as almost currentless minority spin states near the Fermi energy in resonant scattering experients. At zero temperatures, Variational Cluster Approach calculations support the half-metallic nature of CrO$_2$ as seen in superconducting point contact spectroscopy. The combination of these two techniques allowed us to qualitatively describe the spin-polarization in CrO$_2$.

cond-mat.str-el↗

arXiv2007

On the roughness of single- and bi-layer graphene membranes

We present a detailed transmission electron microscopy and electron diffraction study of the thinnest possible membrane, a single layer of carbon atoms suspended in vacuum and attached only at its edges. Membranes consisting of two graphene layers are also reported. We find that the membranes exhibit an apparently random spontaneous curvature that is strongest in single-layer membranes. A direct visualization of the roughness is presented for two-layer membranes where we used the variation of diffracted intensities with the local orientation of the membrane.

cond-mat.mes-hall↗

arXiv2007

An dynamical-mean-field-theory investigation of specific heat and electronic structure of $α$ and $δ$-plutonium

We have carried out a comparative study of the electronic specific heat and electronic structure of $α$ and $δ$-plutonium using dynmical mean field theory (DMFT). We use the perturbative T-matrix and fluctuating exchange (T-matrix FLEX) as a quantum impurity solver. We considered two different physical pictures of plutonoium. In the first, $5{f^5}+$, the perturbative treatment of electronic correlations has been carried out around the non-magnetic (LDA) Hamiltonian, which results in an f occupation around a bit above $n_f = 5 $. In the second, $5{f^6}-$, plutonium is viewed as being close to an $5{f^6}$ configuration, and perturbation theory is carried out around the (LDA+U) starting point bit below $n_f = 6 $. In the latter case the electronic specific heat coefficient $γ$ attains a smaller value in $γ$-Pu than in $α$-Pu, in contradiction to experiment, while in the former case our calculations reproduce the experimentally observed large increase of $γ$ in $δ$-Pu as compared to the $α$ phase. This enhancement of the electronic specific heat coefficient in $δ$-Pu is due to strong electronic correlations present in this phase, which cause a substantial increase of the electronic effective mass, and high density of states at $E_F$. The densities of states of $α$ and $δ$-plutonium obtained starting from the open-shell configuration are also in good agreement with the experimental photoemission spectra.

cond-mat.str-el↗

arXiv2007

The structure of suspended graphene sheets

The recent discovery of graphene has sparked significant interest, which has so far been focused on the peculiar electronic structure of this material, in which charge carriers mimic massless relativistic particle. However, the structure of graphene - a single layer of carbon atoms densely packed in a honeycomb crystal lattice - is also puzzling. On the one hand, graphene appears to be a strictly two-dimensional (2D) material and exhibits such a high crystal quality that electrons can travel submicron distances without scattering. On the other hand, perfect 2D crystals cannot exist in the free state, according to both theory and experiment. This is often reconciled by the fact that all graphene structures studied so far were an integral part of larger 3D structures, either supported by a bulk substrate or embedded in a 3D matrix. Here we report individual graphene sheets freely suspended on a microfabricated scaffold in vacuum or air. These membranes are only one atom thick and still display a long-range crystalline order. However, our studies by transmission electron microscopy (TEM) have revealed that suspended graphene sheets are not perfectly flat but exhibit intrinsic microscopic roughening such that the surface normal varies by several degrees and out-of-plane deformations reach 1 nm. The atomically-thin single-crystal membranes offer an ample scope for fundamental research and new technologies whereas the observed corrugations in the third dimension may shed light on subtle reasons behind the stability of 2D crystals.

cond-mat.mes-hall↗

arXiv2006

Graphene: carbon in two dimensions

Carbon is one of the most intriguing elements in the Periodic Table. It forms many allotropes, some being known from ancient times (diamond and graphite) and some discovered ten to twenty years ago (fullerenes, nanotubes). Quite interestingly, the two-dimensional form (graphene) has been obtained only very recently, and immediately attracted great deal of attention. Electrons in graphene, obeying linear dispersion relation, behave like massless relativistic particles, which results in a number of very peculiar electronic properties observed in this first two-dimensional material: from an anomalous quantum Hall effect to the absence of localization. It also provides a bridge between condensed matter physics and quantum electrodynamics and opens new perspectives for carbon-based electronics.

cond-mat.mes-hall↗

arXiv2006

Nonlinear screening of charge impurities in graphene

It is shown that a ``vacuum polarization'' induced by Coulomb potential in graphene leads to a strong suppression of electric charges even for undoped case (no charge carriers). A standard linear response theory is therefore not applicable to describe the screening of charge impurities in graphene. In particular, it overestimates essentially the contributions of charge impurities into the resistivity of graphene.

cond-mat.mes-hall↗

arXiv2006

Theory of quasiparticle spectra for Fe, Co, and Ni: bulk and surface

The correlated electronic structure of iron, cobalt and nickel is investigated within the dynamical mean-field theory formalism, using the newly developed full-potential LMTO-based LDA+DMFT code. Detailed analysis of the calculated electron self-energy, density of states and the spectral density are presented for these metals. It has been found that all these elements show strong correlation effects for majority spin electrons, such as strong damping of quasiparticles and formation of a density of states satellite at about -7 eV below the Fermi level. The LDA+DMFT data for fcc nickel and cobalt (111) surfaces and bcc iron (001) surface is also presented. The electron self energy is found to depend strongly on the number of nearest neighbors, and it practically reaches the bulk value already in the second layer from the surface. The dependence of correlation effects on the dimensionality of the problem is also discussed.

cond-mat.str-el↗

arXiv2006

Impurity States in Graphene

Defects in graphene are of crucial importance for its electronic and magnetic properties. Here impurity effects on the electronic structure of surrounding carbon atoms are considered and the distribution of the local densities of states (LDOS) is calculated. As the full range from near field to the asymptotic regime is covered, our results are directly accessible by scanning tunnelling microscopy (STM). We also include exchange scattering at magnetic impurities and eludicate how strongly spin polarized impurity states arise.

cond-mat.mes-hall↗

arXiv2006

Infuence of correlation effects on the of magneto-optical properties of half-metallic ferromagnet NiMnSb

The magneto-optical spectra of NiMnSb were calculated in the framework of the Local Spin Density Approximation (LSDA) combined with Dynamical Mean-Field Theory (DMFT). Comparing with results based on plain LSDA, an additional account of many-body correlations via DMFT results in a noticably improved agreement of the theoretical Kerr-rotation and ellipticity spectra with corresponding experimental data.

cond-mat.mtrl-sci↗

arXiv2006

Chiral tunneling and the Klein paradox in graphene

The so-called Klein paradox - unimpeded penetration of relativistic particles through high and wide potential barriers - is one of the most exotic and counterintuitive consequences of quantum electrodynamics (QED). The phenomenon is discussed in many contexts in particle, nuclear and astro- physics but direct tests of the Klein paradox using elementary particles have so far proved impossible. Here we show that the effect can be tested in a conceptually simple condensed-matter experiment by using electrostatic barriers in single- and bi-layer graphene. Due to the chiral nature of their quasiparticles, quantum tunneling in these materials becomes highly anisotropic, qualitatively different from the case of normal, nonrelativistic electrons. Massless Dirac fermions in graphene allow a close realization of Klein's gedanken experiment whereas massive chiral fermions in bilayer graphene offer an interesting complementary system that elucidates the basic physics involved.

cond-mat.mes-hall↗

arXiv2006

Strong suppression of weak (anti)localization in graphene

Low-field magnetoresistance is ubiquitous in low-dimensional metallic systems with high resistivity and well understood as arising due to quantum interference on self-intersecting diffusive trajectories. We have found that in graphene this weak-localization magnetoresistance is strongly suppressed and, in some cases, completely absent. This unexpected observation is attributed to mesoscopic corrugations of graphene sheets which cause a dephasing effect similar to that of a random magnetic field.

cond-mat.mes-hall↗

arXiv2006

Minimal conductivity in bilayer graphene

Using the Landauer formula approach, it is proven that minimal conductivity of order of $e^{2}/h$ found experimentally in bilayer graphene is its intrinsic property. For the case of ideal crystals, the conductivity turns our to be equal to $e^{2}/2h$ per valley per spin. A zero-temperature shot noise in bilayer graphene is considered and the Fano factor is calculated. Its value $1-2/π$ is close to the value 1/3 found earlier for the single-layer graphene.

cond-mat.mes-hall↗

arXiv2006

Giant enhancement of quantum decoherence by frustrated environments

This Letter studies the decoherence in a system of two antiferromagnetically coupled spins that interact with a spin bath environment. Systems are considered that range from the rotationally invariant to highly anisotropic spin models, have different topologies and values of parameters that are fixed or are allowed to fluctuate randomly. We explore the conditions under which the two-spin system clearly shows an evolution from the initial spin-up - spin-down state towards the maximally entangled singlet state. We demonstrate that frustration and, especially, glassiness of the spin environment strongly enhances the decoherence of the two-spin system.

quant-ph↗

arXiv2006

Zitterbewegung, chirality, and minimal conductivity in graphene

It has been recently demonstrated experimentally that graphene, or single-layer carbon, is a gapless semiconductor with massless Dirac energy spectrum. A finite conductivity per channel of order of $e^{2}/h$ in the limit of zero temperature and zero charge carrier density is one of the striking features of this system. Here we analyze this peculiarity based on the Kubo and Landauer formulas. The appearance of a finite conductivity without scattering is shown to be a characteristic property of Dirac chiral fermions in two dimensions.

cond-mat.mes-hall↗

arXiv2006

Half-metallic ferromagnetism induced by dynamic electron correlations in VAs

The electronic structure of the VAs compound in the zinc-blende structure is investigated using a combined density-functional and dynamical mean-field theory approach. Contrary to predictions of a ferromagnetic semiconducting ground state obtained by density-functional calculations, dynamical correlations induce a closing of the gap and produce a half-metallic ferromagnetic state. These results emphasize the importance of dynamic correlations in materials suitable for spintronics.

cond-mat.str-el↗

arXiv2006

High-temperature ferromagnetism of $sp$ electrons in narrow impurity bands: Application to CaB$_6$

Ferromagnetism with high Curie temperature $T_c$, well above room temperature, and very small saturation moment has been reported in various carbon and boron systems. It is argued that the magnetization must be very inhomogeneous with only a small fraction of the sample ferromagnetically ordered. It is shown that a possible source of high $T_c$ within the ferromagnetic regions is itinerant electrons occupying a narrow impurity band. Correlation effects do not reduce the effective interaction which enters the Stoner criterion in the same way as in a bulk band. It is also shown how, in the impurity band case, spin wave excitations may not be effective in lowering $T_c$ below its value given by Stoner theory. These ideas are applied to CaB$_6$ and a thorough review of the experimental situation in this material is given. It is suggested that the intrinsic magnetism of the B$_2$ and O$_2$ dimers might be exploited in suitable structures containing these elements.

cond-mat.mtrl-sci↗