arXiv subjects

Mikhail I. Katsnelson

Publications and source records attributed to Mikhail I. Katsnelson.

At least 145 records · Page 8Linked to original sources

arXiv2017

Effect of moiré superlattice reconstruction in the electronic excitation spectrum of graphene-metal heterostructures

We have studied the electronic excitation spectrum in periodically rippled graphene on Ru(0001) and flat, commensurate graphene on Ni(111) by means of high-resolution electron energy loss spectroscopy and a combination of density functional theory and tight-binding approaches. We show that the periodic moiré superlattice originated by the lattice mismatch in graphene/Ru(0001) induces the emergence of an extra mode, which is not present in graphene/Ni(111). Contrary to the ordinary intra-band plasmon of doped graphene, the extra mode is robust in charge-neutral graphene/metal contacts, having its origin in electron-hole inter-band transitions between van Hove singularities that emerge in the reconstructed band structure, due to the moiré pattern superlattice.

cond-mat.mes-hall↗

arXiv2017

Chiral second-sound collective mode at the edge of 2D systems with nontrivial Berry curvature

We study the thermal transport in two-dimensional systems with a nontrivial Berry curvature texture. The physical realizations are many: for a sake of definiteness we consider undoped graphene gapped by the presence of an aligned hexagonal-Boron-Nitride substrate. The same phenomenology applies, i.e., to surface states of 3D topological insulators in the presence of a uniform magnetization. We find that chiral valley-polarized second-sound collective modes propagate along the edges of the system. The localization length of the edge modes has topological origin stemming from the anomalous velocity term in the quasiparticle current. At low temperature, the single-particle contribution to the transverse thermal conductance is exponentially suppressed and only second-sound modes carry heat along the boundary. A sharp change in the behavior of the thermal Hall conductance, extracted from nonlocal measurements of the temperature along the edge, marks the onset of ballistic heat transport due to second-sound edge modes.

cond-mat.mes-hall↗

arXiv2016

Fractional quantum Hall effect in strained graphene: stability of Laughlin states in disordered (pseudo)magnetic fields

We address the question of the stability of the (fractional) quantum Hall effect (QHE) in presence of pseudomagnetic disorder generated by mechanical deformations of a graphene sheet. Neglecting the potential disorder and taking into account only strain-induced random pseudomagnetic fields, it is possible to write down a Laughlin-like trial ground-state wave function explicitly. Exploiting the Laughlin plasma analogy, we demonstrate that in the case of fluctuating pseudomagnetic fluxes of relatively small amplitude both the integer and fractional quantum Hall effects are always stable upon the deformations. By contrast, in the case of bubble-induced pseudomagnetic fields in graphene on a substrate (a small number of large fluxes) the disorder can be strong enough to cause a glass transition in the corresponding classical Coulomb plasma, resulting in the destruction of fractional quantum Hall regime and in a quantum phase transition to a non-ergodic state of the lowest Landau level.

cond-mat.mes-hall↗

arXiv2016

Theory of plasmonic effects in nonlinear optics: the case of graphene

We develop a microscopic large-$N$ theory of electron-electron interaction corrections to multi-legged Feynman diagrams describing second- and third-order nonlinear response functions. Our theory, which reduces to the well-known random phase approximation in the linear-response limit, is completely general and is useful to understand all second- and third-order nonlinear effects, including harmonic generation, wave mixing, and photon drag. We apply our theoretical framework to the case of graphene, by carrying out microscopic calculations of the second- and third-order nonlinear response functions of an interacting two-dimensional (2D) gas of massless Dirac fermions. We compare our results with recent measurements, where all-optical launching of graphene plasmons has been achieved by virtue of the finiteness of the quasi-homogeneous second-order nonlinear response of this inversion-symmetric 2D material.

cond-mat.mtrl-sci↗

arXiv2016

Versatile Approach to the Spin Dynamics in Correlated Electron Systems

Time-dependent spin phenomena in condensed matter are most often either described in the weakly correlated limit of metallic Stoner/Slater-like magnetism via band theory or in the strongly correlated limit of Heisenberg-like interacting spins in an insulator. However many experimental studies, e.g. of (de)magnetization processes, focus on itinerant local-moment materials such as transition metals and various of their compounds. We here present a general theoretical framework that is capable of addressing correlated spin dynamics, also in the presence of a vanishing charge gap. A real-space implementation of the time-dependent rotational-invariant slave boson methodology allows to treat non-equilibrium spins numerically fast and efficiently beyond linear response as well as beyond the band-theoretical or Heisenberg limit.

cond-mat.str-el↗

arXiv2016

A new 2D monolayer BiXene, M2C (M=Mo, Tc, Os)

Note this is a rather coarse version of our manuscript since uploading tex files are necessary (we are not willing to upload all tex files). The existence of BiXenes, a new family of 2D monolayers is here predicted. Theoretically, BiXenes have 1H symmetry (P-6m2) and can be formed from the 4d/5d binary carbides. As the name suggests, they are close relatives of MXenes, which instead have 1T symmetry (P-3m1). The newly found BiXenes, as well as some new MXenes, are shown to have formation energies close to that of germanene, which suggests that these materials should be possible to be synthesised. Among them, we illustrate that 1H-Tc2C and 1T-Mo2C are dynamically stable at 0 K, while 1H-Mo2C, 1TTc2C, 1H-Tc2C, and 1T-Rh2C are likely to be stabilised via strain or temperature. In addition, the nature of the chemical bonding is analysed, emphasizing that the covalency between the transition metal ions and carbon is much stronger in BiXenes than in MXenes. The emergence of BiXenes can not only open up a new era of conducting 2D monolayers, but also provide good candidates for carrier materials aimed at energy storage and spintronic devices that have already been unveiled in MXenes.

cond-mat.mtrl-sci↗

arXiv2016

Quantum Hall effect and semiconductor to semimetal transition in biased black phosphorus

We study the quantum Hall effect of 2D electron gas in black phosphorus in the presence of perpendicular electric and magnetic fields. In the absence of a bias voltage, the external magnetic field leads to a quantization of the energy spectrum into equidistant Landau levels, with different cyclotron frequencies for the electron and hole bands. The applied voltage reduces the band gap, and eventually a semiconductor to semimetal transition takes place. This nontrivial phase is characterized by the emergence of a pair of Dirac points in the spectrum. As a consequence, the Landau levels are not equidistant anymore, but follow the $\varepsilon_n\propto \sqrt{nB}$ characteristic of Dirac crystals as graphene. By using the Kubo-Bastin formula in the context of the kernel polynomial method, we compute the Hall conductivity of the system. We obtain a $σ_{xy}\propto 2n$ quantization of the Hall conductivity in the gapped phase (standard quantum Hall effect regime), and a $σ_{xy}\propto 4(n+1/2)$ quantization in the semimetalic phase, characteristic of Dirac systems with non-trivial topology.

cond-mat.mes-hall↗

arXiv2016

Non-equilibrium itinerant-electron magnetism: a time-dependent mean-field theory

We study the dynamical magnetic susceptibility of a strongly correlated electronic system in the presence of a time-dependent hopping field, deriving a generalized Bethe-Salpeter equation which is valid also out of equilibrium. Focusing on the single-orbital Hubbard model within the time-dependent Hartree-Fock approximation, we solve the equation in the non-equilibrium adiabatic regime, obtaining a closed expression for the transverse magnetic susceptibility. From this, we provide a rigorous definition of non-equilibrium (time-dependent) magnon frequencies and exchange parameters, expressed in terms of non-equilibrium single-electron Green functions and self-energies. In the particular case of equilibrium, we recover previously known results.

cond-mat.str-el↗

arXiv2016

Edge pseudo-magnetoplasmons

We study the properties of edge plasmons in two-component electron liquids in the presence of pseudomagnetic fields, which have opposite signs for the two different electronic populations and therefore preserve the time-reversal symmetry. The physical realizations of such systems are many. We discuss the cases of strained graphene and of electrons in proximity to a Skyrmion lattice, solving the problem with the Wiener-Hopf technique. We show (i) that two charged counter-propagating acoustic edge modes exist at the boundary and (ii) that, in the limit of large pseudomagnetic fields, each of them involves oscillations of only one of the two electronic components. We suggest that the edge pseudo-magnetoplasmons of graphene can be used to selectively address the electrons of one specific valley, a feature relevant for the emerging field of valleytronics. Conversely, the spin-polarized plasmons at the boundary of Skyrmion lattices can be exploited for spintronics applications. Our solution highlights new features missing in previous (similar) results obtained with uncontrolled approximations, namely a logarithmic divergence of the plasmon velocity, and the absence of gapped edge modes inside the bulk-plasmon gap.

cond-mat.mes-hall↗

arXiv2016

Self-induced glassiness and pattern formation in spin systems subject to long-range interactions

We study the glass formation in two- and three-dimensional Ising and Heisenberg spin systems subject to competing interactions and uniaxial anisotropy with a mean-field approach. In three dimensions, for sufficiently strong anisotropy the systems always modulates in a striped phase. Below a critical strength of the anisotropy, a glassy phase exists in a finite range of temperature, and it becomes more stable as the system becomes more isotropic. In two dimension the criticality is always avoided and the glassy phase always exists.

cond-mat.mes-hall↗

arXiv2016

Magnetism and exchange interaction of small rare-earth clusters; Tb as a representative

Here we follow, both experimentally and theoretically, the development of magnetism in Tb clusters from the atomic limit, adding one atom at a time. The exchange interaction is, surprisingly, observed to drastically increase compared to that of bulk, and to exhibit irregular oscillations as a function of the interatomic distance. From electronic structure theory we find that the theoretical magnetic moments oscillate with cluster size in exact agreement with experimental data. Unlike the bulk, the oscillation is not caused by the RKKY mechanism. Instead, the inter-atomic exchange is shown to be driven by a competition between wave-function overlap of the 5d shell and the on-site exchange interaction, which leads to a competition between ferromagnetic double-exchange and antiferromagnetic super-exchange. This understanding opens up new ways to tune the magnetic properties of rare-earth based magnets with nano-sized building blocks.

physics.atm-clus↗

arXiv2016

Double occupancy in DMFT and the Dual Boson approach

We discuss the calculation of the double occupancy using Dynamical Mean-Field Theory (DMFT) in finite dimensions. The double occupancy can be determined from the susceptibility of the auxiliary impurity model or from the lattice susceptibility. The former method underestimates, whereas the latter overestimates the double occupancy. We illustrate this for the square-lattice Hubbard model. We propose an approach for which both methods lead to identical results by construction and which resolves this ambiguity. This self-consistent dual boson scheme results in a double occupancy that is numerically close to benchmarks available in the literature.

cond-mat.str-el↗

arXiv2016

Anomalous Magnetothermopower in a Metallic Frustrated Antiferromagnet

We report the temperature $T$ and magnetic field $H$ dependence of the thermopower $S$ of an itinerant triangular antiferromagnet PdCrO$_2$ in high magnetic fields up to 32 T. In the paramagnetic phase, the zero-field thermopower is positive with a value typical of good metals with a high carrier density. In marked contrast to typical metals, however, $S$ decreases rapidly with increasing magnetic field, approaching zero at the maximum field scale for $T >$ 70 K. We argue here that this profound change in the thermoelectric response derives from the strong interaction of the 4$d$ correlated electrons of the Pd ions with the short-range spin correlations of the Cr$^{3+}$ spins that persist beyond the Néel ordering temperature due to the combined effects of geometrical frustration and low dimensionality.

cond-mat.str-el↗

arXiv2015

Helicons in Weyl semimetals

Helicons are transverse electromagnetic waves propagating in three-dimensional (3D) electron systems subject to a static magnetic field. We present a theory of helicons propagating through a 3D Weyl semimetal. Our approach relies on the evaluation of the optical conductivity tensor from semiclassical Boltzmann transport theory, with the inclusion of certain Berry curvature corrections that have been neglected in the earlier literature (such as the one due to the orbital magnetic moment). We demonstrate that the axion term characterizing the electromagnetic response of Weyl semimetals dramatically alters the helicon dispersion with respect to that in nontopological metals. We also discuss axion-related anomalies that appear in the plasmon dispersion relation.

cond-mat.mes-hall↗

arXiv2015

Stripe glasses in ferromagnetic thin films

Domain walls in magnetic multilayered systems can exhibit a very complex and fascinating behavior. For example, the magnetization of thin films of hard magnetic materials is in general perpendicular to the thin-film plane, thanks to the strong out-of-plane anisotropy, but its direction changes periodically, forming an alternating spin-up and spin-down stripe pattern. The latter is stabilized by the competition between the ferromagnetic coupling and dipole-dipole interactions, and disappears when a moderate in-plane magnetic field is applied. It has been suggested that such a behavior may be understood in terms of a self-induced stripe glassiness. In this paper we show that such a scenario is compatible with the experimental findings. The strong out-of-plane magnetic anisotropy of the film is found to be beneficial for the formation of both the stripe-ordered and glassy phases. At zero magnetic field the system can form a glass only in a narrow interval of fairly large temperatures. An in-plane magnetic field, however, shifts the glass transition towards lower temperatures, therefore enabling it at or below room temperature. In good qualitative agreement with the experimental findings, we show that a moderate in-plane magnetic field of the order of $30~{\rm mT}$ can lead to the formation of defects in the stripe pattern, which sets the onset of the glass transition.

cond-mat.mes-hall↗

arXiv2015

Hidden spin-orbital hexagonal ordering induced by strong correlations in LiVS$_2$

We present a first-principles many-body analysis of multi-orbital lattice susceptibilities in the metallic phase of the quasi-twodimensional compound LiVS$_2$. We base this on advanced correlated electronic structure methods for the $t_{2g}$-shell to reveal a highly entangled spin-orbital hexagonal ordering (SOHO) bringing about an inherently intersite order parameter for the trimerization transition, which eventually leads to an intriguing insulating phase at low temperature.

cond-mat.mtrl-sci↗

arXiv2015

Dirac points with giant spin-orbit splitting in the electronic structure of two-dimensional transition-metal carbides

Two-dimensional (2D) materials, especially their most prominent member, graphene, have greatly influenced many scientific areas. Moreover, they have become a base for investigating the relativistic properties of condensed matter within the emerging field of Dirac physics. This has ignited an intense search for new materials where charge carriers behave as massless or massive Dirac fermions. Here, we theoretically show the existence of Dirac electrons in a series of 2D transition-metal carbides, known as MXenes. They possess twelve conical crossings in the 1st Brillouin zone with giant spin-orbit splitting. Our findings indicate that the 2D band structure of MXenes is protected against external perturbations and preserved even in multilayer phases. These results, together with the broad possibilities to engineer the properties of these materials phases, make Dirac MXenes a potential candidate for studying and developing novel Dirac-physics-based technologies.

cond-mat.mtrl-sci↗

arXiv2015

Pressure induced crossing of the core-levels in 5d metals

Pressure induced interaction between core electrons, the core level crossing (CLC) transition has been observed in hcp Os at P~400 GPa [L. Dubrovinksy, et al., Nature 525, 226-229 (2015)]. In this work, we carry out a systematic study of the influence of pressure on the electronic structure in all metals of the 5d series (Hf,Ta,W,Re,Os,Ir,Pt,Au) using first-principles electronic structure calculations. We have found that CLC is a general effect for this series of metals. While in Pt it occurs at ~1500 GPa, at a pressure substantially higher than in Os, in Ir it occurs already at 80 GPa. Moreover, we predict that in Re the CLC transition may appear at ambient pressure. We analyze the shifts of the CLC transition pressure across the series within the Thomas-Fermi model, and show that the effect has many common features to the atomic collapse in the rare-earth elements.

cond-mat.mtrl-sci↗