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A. S. Mishchenko

Publications and source records attributed to A. S. Mishchenko.

At least 19 recordsLinked to original sources

Extending the Feynman variational principle and analytical methods to lattice polarons

We develop and compare several analytical approximations for the ground state and zero-temperature polaron dispersion in finite-width, nonparabolic conduction bands. The main focus of the work is an extension of the Feynman variational method to a tight-binding lattice, where the effective-mass approximation is no longer applicable. The resulting variational formulation is not restricted to a specific phonon dispersion or electron-phonon interaction and provides a uniform description across weak-, intermediate-, and strong-coupling regimes. In addition, we revisit and generalize other analytical approaches traditionally formulated for continuum polarons, including canonical transformations and self-consistent Wigner-Brillouin-type approximations. For lattice polarons, these methods exhibit qualitative features absent in the continuum case, such as a nontrivial connection between weak- and strong-coupling limits. We show that an improved Wigner-Brillouin scheme yields a momentum-dependent polaron self-energy free of resonances and in good agreement with numerically exact results. All methods are applied to the Holstein model on a tight-binding lattice and are benchmarked against numerically exact calculations, including diagrammatic Monte Carlo (both our calculations and preceding works) and exact diagonalization results. Furthermore, the analytical approaches are extended to polarons with Rashba-type spin-orbit coupling, providing a stringent test of their applicability in systems with nontrivial band structure. Our results demonstrate that the modified Feynman variational method yields ground-state energies and dispersions with accuracy comparable to, and in many cases exceeding, that of other established analytical approaches. The developed framework offers a versatile and reliable analytical description of lattice polarons beyond the continuum approximation.

cond-mat.str-el

Quantum Phase Transition of Many Interacting Spins Coupled to a Bosonic Bath: static and dynamical properties

By using worldline and diagrammatic quantum Monte Carlo techniques, matrix product state and a variational approach à la Feynman, we investigate the equilibrium properties and relaxation features of a quantum system of $N$ spins antiferromagnetically interacting with each other, with strength $J$, and coupled to a common bath of bosonic oscillators, with strength $α$. We show that, in the Ohmic regime, a Beretzinski-Thouless-Kosterlitz quantum phase transition occurs. While for $J=0$ the critical value of $α$ decreases asymptotically with $1/N$ by increasing $N$, for nonvanishing $J$ it turns out to be practically independent on $N$, allowing to identify a finite range of values of $α$ where spin phase coherence is preserved also for large $N$. Then, by using matrix product state simulations, and the Mori formalism and the variational approach à la Feynman jointly, we unveil the features of the relaxation, that, in particular, exhibits a non monotonic dependence on the temperature reminiscent of the Kondo effect. For the observed quantum phase transition we also establish a criterion analogous to that of the metal-insulator transition in solids.

cond-mat.stat-mech

Manifestations of the electron-phonon interaction range in angle resolved photoemission spectra

Numerous angle resolved photoemission spectroscopy (ARPES) studies of a wide class of low-density metallic systems, ranging from doped transition metal oxides to quasi two-dimensional interfaces between insulators, exhibit phonon sidebands below the quasi-particle peak as a unique hallmark of polaronic correlations. Here, we single out properties of ARPES spectra that can provide a robust estimate of the effective range (screening length) of the electron-phonon interaction, regardless of the limited experimental resolution, dimensionality and particular features of the electronic structure, facilitating a general methodology for an analysis of a whole class of materials.

cond-mat.str-el

Giant electron-phonon coupling of the breathing plane oxygen phonons in the dynamic stripe phase of La$_{1.67}$Sr$_{0.33}$NiO$_4$

Doped antiferromagnets host a vast array of physical properties and learning how to control them is one of the biggest challenges of condensed matter physics. La$_{1.7}$Sr$_{0.3}$NiO$_4$ (LSNO) is a classic example of such a material. At low temperatures holes introduced via substitution of La by Sr segregate into lines to form boundaries between magnetically ordered domains in the form of stripes. The stripes become dynamic at high temperatures, but LSNO remains insulating presumably because an interplay between magnetic correlations and electron-phonon coupling localizes charge carriers. Magnetic degrees of freedom have been extensively investigated in this system, but phonons are almost completely unexplored. We searched for electron-phonon anomalies in LSNO by inelastic neutron scattering. Giant renormalization of plane Ni-O bond-stretching modes that modulate the volume around Ni appears on entering the dynamic charge stripe phase. Other phonons are a lot less sensitive to stripe melting. Dramatic overdamping of the breathing modes indicates that dynamic stripe phase may host small polarons. We argue that this feature sets electron-phonon coupling in nickelates apart from that in cuprates where breathing phonons are not overdamped and point out remarkable similarities with the colossal magnetoresistance (CMR) manganites.

cond-mat.str-el

Topological phase transition in quantum spin Hall insulator in the presence of charge lattice coupling

By using the cluster perturbation theory, we investigate the effects of the local electron-phonon interaction in the quantum spin Hall topological insulator described by the half-filled Kane-Mele model on an honeycomb lattice. Starting from the topological non trivial phase, where the minimal gap is located at the two inequivalent Dirac points of the Graphene, $\text{K}$ and $\text{K}'$, we show that the coupling with quantum phonons induces a topological-trivial quantum phase transition through a gap closing and reopening in the $\text{M}$ point of the Brillouin zone. The average number of fermions in this point turns out to be a direct indicator of the quantum transition pointing out a strong hybridization between the two bare quasiparticle bands of the Kane-Mele model. By increasing the strength of charge-lattice coupling, the phonon Green's propagator displays a two peak structure: the one located at the lowest energy exhibits a softening that is maximum around the topological transition. Numerical simulations provide also evidence of several kinks in the quasiparticle dispersion caused by the coupling of the electrons with the bosonic lattice mode.

cond-mat.str-el

Topological quantum transition driven by charge-phonon coupling in the Haldane Chern insulator

In condensed matter physics many features can be understood in terms of their topological properties. Here we report evidence of a topological quantum transition driven by the charge-phonon coupling in the spinless Haldane model on a honeycomb lattice, a well-known prototypical model of Chern insulator. Starting from parameters describing the topological phase in the bare Haldane model, we show that the increasing of the strength of the charge lattice coupling drives the system towards a trivial insulator. The average number of fermions in the Dirac point, characterized by the lowest gap, exhibits a finite discontinuity at the transition point and can be used as direct indicator of the topological quantum transition. Numerical simulations show, also, that the renormalized phonon propagator exhibits a two peak structure across the quantum transition, whereas, in absence of the mass term in the bare Hadane model, there is indication of a complete softening of the effective vibrational mode signaling a charge density wave instability.

cond-mat.str-el

Derivations of Group Algebras and Hochschild cohomology

The Hochschild homology and cohomology group can be described in terms of the homology and cohomology of the classifying space of the groupoid of the adjoint action of the group under the suitable assumption of the finiteness of the supports of cohomology groups. The difference between homology and cohomology leads to a correction of the results in the book by D. J. Benson (1995),(1991).

math.RT

Smooth Version of Johnson's Problem Concerning Derivations of Group Algebras

A description of the algebra of outer derivations of a group algebra of a finitely presented discrete group is given in terms of the Cayley complex of the groupoid of the adjoint action of the group. This task is a smooth version of Johnson's problem concerning the derivations of a group algebra. It is shown that the algebra of outer derivations is isomorphic to the group of the one-dimensional cohomology with compact supports of the Cayley complex over the field of complex numbers.

math.AT

Two channel model for optical conductivity of high mobility organic crystals

We show that the temperature dependence of conductivity of high mobility organic crystals Pentacene and Rubrene can be quantitatively described in the framework of the model where carriers are scattered by quenched local impurities and interact with phonons by Su-Schrieffer-Hegger (SSH) coupling. Within this model, we present approximation free results for mobility and optical conductivity obtained by world line Monte Carlo, which we generalize to the case of coupling both to phonons and impurities. We find fingerprints of carrier dynamics in these compounds which differ from conventional metals and show that the dynamics of carriers can be described as a superposition of a Drude term representing diffusive mobile particles and a Lorentz term associated with dynamics of localized charges.

cond-mat.mtrl-sci

Maslov's concept of phase transition from Bose-Einstein to Fermi-Dirac distribution. Results of interdisciplinary workshop in MSU

At the end of 2017, an interdisciplinary scientific seminar was organized at Moscow University, devoted to the study and development of a new scientific concept created by V.P. Maslov, allowing you to take a fresh look at the statistics of Bose-Einstein and Fermi-Dirac ideal gases. This new point of view allows us to interpret the indicated statistics as particular cases of statistical properties in number theory, on the one hand, and to indicate the limits of phase transitions from Bose to Fermi distributions.

cond-mat.stat-mech

Derivations of Group Algebras

In the paper, a method of describing the outer derivations of the group algebra of a finitely presentable group is given. The description of derivations is given in terms of characters of the groupoid of the adjoint action of the group.

math.RA

Optical signatures of exciton-polarons from diagrammatic Monte Carlo

We study the interplay of electron-electron and electron-phonon interactions in the course of electron-hole bound state formation for gapped solid state systems. Adapting the essentially approximation-free diagrammatic Monte Carlo method for the calculation of the optical response, we discuss the absorption of light in correlated electron-phonon systems for the whole interaction and phonon frequency regimes. The spectral function obtained by analytical continuation from the imaginary-time current-current correlation function demonstrates the dressing of excitons by a phonon cloud when the coupling the lattice degrees of freedom becomes increasingly important, where notable differences show up between the adiabatic and anti-adiabatic cases.

cond-mat.str-el

On the photoinduced phase transition in (GeTe)n(Sb2Te3)m

We suggest a phenomenological description of the photo-conversion in Ge-Sb-Te phase-change memory alloys from amorphous to crystalline phase which explains why both photo-excitation and high temperatures T > 160C are required for the transition from hexagonal to tetrahedral phase. The position of chemical potential at high temperatures allows light induced inverse population of the nucleons of the crystalline phase which are not stable otherwise. Then, inverse population accumulates holes on neighboring Te and Ge ions and locks the photo-conversion transition by pushing Ge ions into the interstitial position to minimize the Coulomb repulsion energy.

cond-mat.mtrl-sci

Polaronic metal state at the LaAlO3/SrTiO3 interface

Interplay of spin, charge, orbital and lattice degrees of freedom in oxide heterostructures results in a plethora of fascinating properties, which can be exploited in new generations of electronic devices with enhanced functionalities. The paradigm example is the interface between the two band insulators LaAlO3 and SrTiO3 (LAO/STO) that hosts two-dimensional electron system (2DES). Apart from the mobile charge carriers, this system exhibits a range of intriguing properties such as field effect, superconductivity and ferromagnetism, whose fundamental origins are still debated. Here, we use soft-X-ray angle-resolved photoelectron spectroscopy to penetrate through the LAO overlayer and access charge carriers at the buried interface. The experimental spectral function directly identifies the interface charge carriers as large polarons, emerging from coupling of charge and lattice degrees of freedom, and involving two phonons of different energy and thermal activity. This phenomenon fundamentally limits the carrier mobility and explains its puzzling drop at high temperatures.

cond-mat.mtrl-sci

Fermi surface of three-dimensional La1-xSrxMnO3 explored by soft-X-ray ARPES: Rhombohedral lattice distortion and its effect on magnetoresistance

Electronic structure of the three-dimensional colossal magnetoresistive perovskite La1-xSrxMnO3 has been established using soft-X-ray ARPES with its intrinsically sharp definition of three-dimensional electron momentum. The experimental results show much weaker polaronic coupling compared to the bilayer manganites and are consistent with the GGA+U band structure. The experimental Fermi surface unveils the canonical topology of alternating three-dimensional electron spheres and hole cubes, with their shadow contours manifesting the rhombohedral lattice distortion. This picture has been confirmed by one-step photoemission calculations including displacement of the apical oxygen atoms. The rhombohedral distortion is neutral to the Jahn-Teller effect and thus polaronic coupling, but affects the double-exchange electron hopping and thus the colossal magnetoresistance effect.

cond-mat.str-el

Crossover from Super- to Sub-Diffusive Motion and Memory Effects in Crystalline Organic Semiconductors

The transport properties at finite temperature of crystalline organic semiconductors are investigated, within the Su-Schrieffer-Heeger model, by combining exact diagonalization technique, Monte Carlo approaches, and maximum entropy method. The temperature-dependent mobility data measured in single crystals of rubrene are successfully reproduced: a crossover from super- to sub-diffusive motion occurs in the range $150 \leq T \leq 200$ K, where the mean free path becomes of the order of the lattice parameter and strong memory effects start to appear. We provide an effective model which can successfully explain low frequencies features of the absorption spectra. The observed response to slowly varying electric field is interpreted by means of a simple model where the interaction between the charge carrier and lattice polarization modes is simulated by a harmonic interaction between a fictitious particle and an electron embedded in a viscous fluid.

cond-mat.mtrl-sci

Mobility of Holstein polaron: an unbiased approach

We present the first unbiased results for the mobility $μ$ of one-dimensional Holstein polaron obtained by numerical analytic continuation combined with diagrammatic and world-line Monte Carlo methods in the thermodynamic limit. We have identified for the first time, by the characteristic $ω$ and $T$ dependence in the wide region of parameters, several distinct regimes in the $λ-T$ plane including band conduction region, incoherent metallic region, activated hopping region, and high temperature saturation region. We observe for the first time that although mobilities and mean free paths at different values of $λ$ differ by many orders of magnitude at small temperatures, their values at $T$ larger than the bandwidth become very close to each other.

cond-mat.str-el

New formulation of the Kubo Optical Conductivity: a Shortcut to Transport Properties

The Kubo formula for the electrical conductivity is rewritten in terms of a sum of Drude-like contributions associated to the exact eigenstates of the interacting system, each characterized by its own frequency-dependent relaxation time. The structure of the novel and equivalent formulation, weighting the contribution from each eigenstate by its Boltzmann occupation factor, simplifies considerably the access to the static properties (dc conductivity) and resolves the long standing difficulties to recover the Boltzmann result for dc conductivity from the Kubo formula. It is shown that the Boltzmann result, containing the correct transport scattering time instead of the electron lifetime determined by the Green function, can be recovered in problems with elastic and inelastic scattering at the lowest order of interaction.

cond-mat.other