arXiv subjects

M. I. Katsnelson

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

At least 73 records · Page 4Linked to original sources

arXiv2019

Quantum many-body dynamics of the Einstein-de Haas effect

In 1915, Einstein and de Haas and Barnett demonstrated that changing the magnetization of a magnetic material results in mechanical rotation, and vice versa. At the microscopic level, this effect governs the transfer between electron spin and orbital angular momentum, and lattice degrees of freedom, understanding which is key for molecular magnets, nano-magneto-mechanics, spintronics, and ultrafast magnetism. Until now, the timescales of electron-to-lattice angular momentum transfer remain unclear, since modeling this process on a microscopic level requires addition of an infinite amount of quantum angular momenta. We show that this problem can be solved by reformulating it in terms of the recently discovered angulon quasiparticles, which results in a rotationally invariant quantum many-body theory. In particular, we demonstrate that non-perturbative effects take place even if the electron--phonon coupling is weak and give rise to angular momentum transfer on femtosecond timescales.

cond-mat.mes-hall↗

arXiv2019

Optical control of competing exchange interactions and coherent spin-charge coupling in two-orbital Mott insulators

In order to have a better understanding of ultrafast electrical control of exchange interactions in multi-orbital systems, we study a two-orbital Hubbard model at half filling under the action of a time-periodic electric field. Using suitable projection operators and a generalized time-dependent canonical transformation, we derive an effective Hamiltonian which describes two different regimes. First, for a wide range of non-resonant frequencies, we find a change of the bilinear Heisenberg exchange $J_{\textrm{ex}}$ that is analogous to the single-orbital case. Moreover we demonstrate that also the additional biquadratic exchange interaction $B_{\textrm{ex}}$ can be enhanced, reduced and even change sign depending on the electric field. Second, for special driving frequencies, we demonstrate a novel spin-charge coupling phenomenon enabling coherent transfer between spin and charge degrees of freedom of doubly ionized states. These results are confirmed by an exact time-evolution of the full two-orbital Mott-Hubbard Hamiltonian.

cond-mat.str-el↗

arXiv2018

Quantum Nanoskyrmions

Skyrmions in condensed matter physics appear as classical topological spin structures. This nontrivial state can be obtained solving the corresponding micromagnetic model, where the magnetization is treated as a continuous classical vector field. Here, we introduce a new concept of quantum skyrmions of a nanoscale size. This distinct magnetic state can be formed in spin-1/2 low dimensional magnets characterized by a strong Dzyaloshinskii-Moriya interaction. This concept can also be applied to usual spin systems characterized by a nonzero exchange interaction if the quantum solution of the problem is accessible. To perform a complete characterization of such a quantum nanoskyrmion state, we analyze basis functions giving the largest contribution to the ground state at different values of external magnetic field and temperature. We observe that the quantum skyrmionic state is stabilized even when the corresponding classical skyrmionic solution has already undergone a phase transition towards the polarized ferromagnetic state.

cond-mat.str-el↗

arXiv2018

Gate-tunable infrared plasmons in electron-doped single-layer antimony

We report on a theoretical study of collective electronic excitations in single-layer antimony crystals (antimonene), a novel two-dimensional semiconductor with strong spin-orbit coupling. Based on a tight-binding model, we consider electron-doped antimonene and demonstrate that the combination of spin-orbit effects with external bias gives rise to peculiar plasmon excitations in the mid-infrared spectral range. These excitations are characterized by low losses and negative dispersion at frequencies effectively tunable by doping and bias voltage. The observed behavior is attributed to the spin-splitting of the conduction band, which induces interband resonances, affecting the collective excitations. Our findings open up the possibility to develop plasmonic and optoelectronic devices with high tunability, operating in a technologically relevant spectral range.

cond-mat.mtrl-sci↗

arXiv2018

Quantum spin fluctuations and evolution of electronic structure in cuprates

Correlation effects in CuO$_2$ layers give rise to a complicated landscape of collective excitations in high-T$_{\rm c}$ cuprates. Their description requires an accurate account for electronic fluctuations at a very broad energy range and remains a challenge for the theory. Particularly, there is no conventional explanation of the experimentally observed `resonant' antiferromagnetic mode, which is often considered to be a mediator of superconductivity. Here we model spin excitations of the hole-doped cuprates in the paramagnetic regime and show that this antiferromagnetic mode is associated with electronic transitions between anti-nodal X and Y points of the quasiparticle band that is pinned to the Fermi level. We observe that upon doping of 7-12\% the electronic spectral weight redistribution leads to the formation of a very stable quasiparticle dispersion due to strong correlation effects. The reconstruction of the Fermi surface results in a flattening of the quasiparticle band at the vicinity of the nodal ${\rm M}Γ/2$ point, accompanied by a high density of charge carriers. Collective excitations of electrons between the nodal ${\rm M}Γ/2$ and ${\rm XM}/2$ points form the additional magnetic holes state in magnetic spectrum, which protects the antiferromagnetic fluctuation. Further investigation of the evolution of spin fluctuations with the temperature and doping allowed us to observe the incipience of the antiferromagnetic ordering already in the paramagnetic regime above the transition temperature. Additionally, apart from the most intensive low-energy magnetic excitations, the magnetic spectrum reveals less intensive collective spin fluctuations that correspond to electronic processes between peaks of the single-particle spectral function.

cond-mat.str-el↗

arXiv2018

Excitonic instability and unconventional pairing in the nodal-line materials ZrSiS and ZrSiSe

We use a functional renormalization group (fRG) approach to investigate potential interaction-induced instabilities in a two-dimensional model for the Dirac nodal-line materials ZrSiS and ZrSiSe employing model parameters derived from {\it ab initio} calculations. Our results confirm that the excitonic instability recently found in random-phase approximation for ZrSiS is indeed the leading instability. In the simplest modeling, spin- and charge-excitonic states are degenerate. Beyond this, we show that the fRG analysis produces an energy scale for the onset of the instability in good agreement with the experimentally observed mass enhancement. Additionally, by exploring the parameter space of the model we find that reducing the band splitting increases the instability scale and gives the chance to drive the system into an unconventional superconducting pairing state. The model parameters for the case of the structurally similar material ZrSiSe suggest the $d$-wave superconducting state as the leading instability with a very small critical scale.

cond-mat.str-el↗

arXiv2018

Electronic optics in graphene in the semiclassical approximation

We study above-barrier scattering of Dirac electrons by a smooth electrostatic potential combined with a coordinate-dependent mass in graphene. We assume that the potential and mass are sufficiently smooth, so that we can define a small dimensionless semiclassical parameter $h \ll 1$. This electronic optics setup naturally leads to focusing and the formation of caustics, which are singularities in the density of trajectories. We construct a semiclassical approximation for the wavefunction in all points, placing particular emphasis on the region near the caustic, where the maximum of the intensity lies. Because of the matrix character of the Dirac equation, this wavefunction contains a nontrivial semiclassical phase, which is absent for a scalar wave equation and which influences the focusing. We carefully discuss the three steps in our semiclassical approach: the adiabatic reduction of the matrix equation to an effective scalar equation, the construction of the wavefunction using the Maslov canonical operator and the application of the uniform approximation to the integral expression for the wavefunction in the vicinity of a caustic. We consider several numerical examples and show that our semiclassical results are in very good agreement with the results of tight-binding calculations. In particular, we show that the semiclassical phase can have a pronounced effect on the position of the focus and its intensity.

cond-mat.mes-hall↗

arXiv2018

Investigation into the role of the orbital moment in a series of isostructural weak ferromagnets

The orbital contribution to the magnetic moment of the transition metal ion in the isostructural weak ferromagnets ACO$_3$ (A=Mn,Co,Ni) and FeBO$_3$ was investigated by a combination of first-principles calculations, non-resonant x-ray magnetic scattering and x-ray magnetic circular dichroism. A non-trivial evolution of the orbital moment as a function of the $3d$ orbitals filling is revealed, with an anomalously large value found in the Co member of the family. Here, the coupling between magnetic and lattice degrees of freedom produced by the spin-orbit interaction results in a large single-ion anisotropy and a peculiar magnetic-moment-induced electron cloud distortion, evidenced by the appearance of a subtle scattering amplitude at space group-forbidden reflections and significant magnetostrictive effects. Our results, which complement a previous investigation on the sign of the Dzyaloshinskii$-$Moriya interaction across the series, highlight the importance of spin-orbit coupling in the physics of weak ferromagnets and prove the ability of modern first-principles calculations to predict the properties of materials where the Dzyaloshinskii$-$Moriya interaction is a fundamental ingredient of the magnetic Hamiltonian.

cond-mat.str-el↗

arXiv2018

Antiferromagnetic order without recourse to staggered fields

In the theory of antiferromagnetism, the staggered field---an external magnetic field that alternates in sign on atomic length scales---is used to select the classical Néel state from a quantum magnet, but justification is missing. This work examines, within the decoherence framework, whether repeated $local$ measurement can replace a staggered field. Accordingly, the conditions under which local decoherence can be considered a continuous measurement are studied. The dynamics of a small magnetic system is analysed to illustrate that local decoherence can lead to (symmetry-broken) order similar to order resulting from a staggered field.

quant-ph↗

arXiv2018

Competing Coulomb and electron-phonon interactions in NbS$_2$

The interplay of Coulomb and electron-phonon interactions with thermal and quantum fluctuations facilitates rich phase diagrams in two-dimensional electron systems. Layered transition metal dichalcogenides hosting charge, excitonic, spin and superconducting order form an epitomic material class in this respect. Theoretical studies of materials like NbS$_2$ have focused on the electron-phonon coupling whereas the Coulomb interaction, particularly strong in the monolayer limit, remained essentially untouched. Here, we analyze the interplay of short- and long-range Coulomb as well as electron-phonon interactions in NbS$_2$ monolayers. The combination of these interactions causes electronic correlations that are fundamentally different to what would be expected from the interaction terms separately. The fully interacting electronic spectral function resembles the non-interacting band structure but with appreciable broadening. An unexpected coexistence of strong charge and spin fluctuations puts NbS$_2$ close to spin and charge order, suggesting monolayer NbS$_2$ as a platform for atomic scale engineering of electronic quantum phases.

cond-mat.str-el↗

arXiv2018

Effective Heisenberg model and exchange interaction for strongly correlated systems

We consider the extended Hubbard model and introduce a corresponding Heisenberg-like problem written in terms of spin operators. The derived formalism is reminiscent of Anderson's idea of the effective exchange interaction and takes into account nonlocal correlation effects. The results for the exchange interaction and magnetic susceptibility are expressed in terms of single-particle quantities, which can be obtained efficiently in realistic calculations of multiband systems. In the strongly spin-polarized limit, when the local magnetic moment is well-defined, the exchange interaction reduces to a standard expression of the density functional theory that has been successfully used in practical calculations of magnetic properties of real materials.

cond-mat.str-el↗

arXiv2018

Excitonic Instability and Pseudogap Formation in Nodal Line Semimetal ZrSiS

Electron correlation effects are studied in ZrSiS using a combination of first-principles and model approaches. We show that basic electronic properties of ZrSiS can be described within a two-dimensional lattice model of two nested square lattices. High degree of electron-hole symmetry characteristic for ZrSiS is one of the key features of this model. Having determined model parameters from first-principles calculations, we then explicitly take electron-electron interactions into account and show that at moderately low temperatures ZrSiS exhibits excitonic instability, leading to the formation of a pseudogap in the electronic spectrum. The results can be understood in terms of Coulomb-interaction-assisted pairing of electrons and holes reminiscent to that of an excitonic insulator. Our finding allows us to provide a physical interpretation to the unusual mass enhancement of charge carriers in ZrSiS recently observed experimentally.

cond-mat.str-el↗

arXiv2018

Stress-controlled Poisson ratio of a crystalline membrane: Application to graphene

We demonstrate that a key elastic parameter of a suspended crystalline membrane---the Poisson ratio (PR) $ν$---is a non-trivial function of the applied stress $σ$ and of the system size $L$, i.e., $ν=ν_L(σ)$. We consider a generic 2D membrane embedded into space of dimensionality $2+d_c$. (The physical situation corresponds to $d_c=1$.) A particularly important application of our results is free-standing graphene. We find that at very low stress, where the membrane exhibits a linear response, the PR $ν_L(0)$ decreases with increasing $L$ and saturates for $ L\to \infty$ at a value which depends on the boundary conditions and is essentially different from the value $ν=-1/3$ previously predicted by the membrane theory within a self-consisted scaling analysis. By increasing $σ$, one drives a membrane into a non-linear regime characterized by a universal value of PR that depends solely on $d_c.$ This universal non-linear PR acquires its minimum value $ν_{\rm min}=-1$ in the limit $d_c\to \infty.$ With the further increase of $σ$, the PR changes sign and finally saturates at a positive non-universal value prescribed by the conventional elasticity theory. We also show that one should distinguish between the absolute and differential PR ($ν$ and $ν^{\rm diff}$, respectively). While coinciding in the limits of very low and very high stresses, they differ in general, $ν\neq ν^{\rm diff}$. In particular, in the non-linear universal regime, $ν^{\rm diff}$ takes a universal value which, similarly to absolute PR, is a function solely of $d_c$ but is different from the universal value of $ν$. In the limit $d_c\to \infty$, the universal value of $ν^{\rm diff}$ tends to $-1/3$, at variance with the limiting value $-1$ of $ν$. Finally, we briefly discuss generalization of these results to a disordered membrane.

cond-mat.mes-hall↗

arXiv2018

First-order metal-insulator transitions in the extended Hubbard model due to self-consistent screening of the effective interaction

While the Hubbard model is the standard model to study Mott metal-insulator transitions, it is still unclear to which extent it can describe metal-insulator transitions in real solids, where non-local Coulomb interactions are always present. By using a variational principle, we clarify this issue for short- and long-ranged non-local Coulomb interactions for half-filled systems on bipartite lattices. We find that repulsive non-local interactions generally stabilize the Fermi-liquid regime. The metal-insulator phase boundary is shifted to larger interaction strengths to leading order linearly with non-local interactions. Importantly, non-local interactions can raise the order of the metal-insulator transition. We present a detailed analysis of how the dimension and geometry of the lattice as well as the temperature determine the critical non-local interaction leading to a first-order transition: for systems in more than two dimensions with non-zero density of states at the Fermi energy the critical non-local interaction is arbitrarily small; otherwise it is finite.

cond-mat.str-el↗

arXiv2018

Quantum dynamics of a small symmetry breaking measurement device

A quantum measuring instrument is constructed that utilises symmetry breaking to enhance a microscopic signal. The entire quantum system consists of a system-apparatus-environment triad that is composed of a small set of spin-1/2 particles. The apparatus is a ferromagnet that measures the $z$-component of a single spin. A full quantum many-body calculation allows for a careful examination of the loss of phase coherence, the formation and amplification of system-apparatus correlations, the irreversibility of registration, the fault tolerance, and the bias of the device.

quant-ph↗

arXiv2018

Diagrammatic routes to nonlocal correlations beyond dynamical mean field theory

Strong electronic correlations pose one of the biggest challenges to solid state theory. We review recently developed methods that address this problem by starting with the local, eminently important correlations of dynamical mean field theory (DMFT). On top of this, non-local correlations on all length scales are generated through Feynman diagrams, with a local two-particle vertex instead of the bare Coulomb interaction as a building block. With these diagrammatic extensions of DMFT long-range charge-, magnetic-, and superconducting fluctuations as well as (quantum) criticality can be addressed in strongly correlated electron systems. We provide an overview of the successes and results achieved---hitherto mainly for model Hamiltonians---and outline future prospects for realistic material calculations.

cond-mat.str-el↗

arXiv2018

Kramers degeneracy and relaxation in vanadium, niobium and tantalum clusters

In this work we use magnetic deflection of V, Nb, and Ta atomic clusters to measure their magnetic moments. While only a few of the clusters show weak magnetism, all odd-numbered clusters deflect due to the presence of a single unpaired electron. Surprisingly, for majority of V and Nb clusters an atomic-like behavior is found, which is a direct indication of the absence of spin-lattice interaction. This is in agreement with Kramers degeneracy theorem for systems with a half-integer spin. This purely quantum phenomenon is surprisingly observed for large systems of more than 20 atoms, and also indicates various quantum relaxation processes, via Raman two-phonon and Orbach high-spin mechanisms. In heavier, Ta clusters, the relaxation is always present, probably due to larger masses and thus lower phonon energies, as well as increased spin-orbit coupling.

physics.atm-clus↗

arXiv2018

Impact of Many-Body Effects on Landau Levels in Graphene

We present magneto-Raman spectroscopy measurements on suspended graphene to investigate the charge carrier density-dependent electron-electron interaction in the presence of Landau levels. Utilizing gate-tunable magneto-phonon resonances, we extract the charge carrier density dependence of the Landau level transition energies and the associated effective Fermi velocity $v_\mathrm{F}$. In contrast to the logarithmic divergence of $v_\mathrm{F}$ at zero magnetic field, we find a piecewise linear scaling of $v_\mathrm{F}$ as a function of charge carrier density, due to a magnetic field-induced suppression of the long-range Coulomb interaction. We quantitatively confirm our experimental findings by performing tight-binding calculations on the level of the Hartree-Fock approximation, which also allow us to estimate an excitonic binding energy of $\approx$ 6 meV contained in the experimentally extracted Landau level transitions energies.

cond-mat.mes-hall↗