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Andrey S. Mishchenko

Publications and source records attributed to Andrey S. Mishchenko.

At least 19 recordsLinked to original sources

Anomalous temperature dependence of polaron mobility in a nonlinear double-well potential: unbiased X-propagator approach

We develop an unbiased X-propagator method for calculating finite-temperature optical conductivity $σ(ω)$ and dc mobility $μ$ for arbitrary nonlinear electron-phonon interaction. We apply it to a polaron coupled to a double-well lattice potential, a minimal model for strongly anharmonic polar materials. At moderate coupling, the mobility exhibits three temperature regimes associated with confinement within one well, thermal competition with the barrier, and barrier-insensitive high-temperature dynamics. This sequence produces a concave temperature dependence of the mobility that is absent in conventional linear-coupling polaron models. At strong coupling, the mobility becomes nonmonotonic, and its temperature evolution is reflected in a characteristic redistribution of optical spectral weight. For parameters relevant to SrTiO$_3$, our results qualitatively reproduce both the anomalous concave mobility and the onset of violation of the Mott-Ioffe-Regel limit, thereby supporting nonlinear coupling to a soft anharmonic lattice mode as a microscopic mechanism for anomalous transport in dilute polar metals.

cond-mat.str-el

Polaron formation as the vertex function problem: From Dyck's paths to self-energy Feynman diagrams

We present an iterative method for generating the complete set of self-energy Feynman diagrams at arbitrary order for the single-polaron problem with arbitrary linear coupling to the lattice. The approach combines a combinatorial representation of noncrossing diagrams, based on Dyck paths associated with Stieltjes-Rogers polynomials, with the constraints of the Ward-Takahashi identity to systematically incorporate vertex corrections. This construction yields a one-to-one correspondence between terms in the expansion based on Stieltjes-Rogers polynomials and diagrammatic contributions, and provides, through a sequence of simple steps, a closed, algorithmic framework for generating all diagrams of a given order, together with their relative weights. The method enables efficient, unbiased evaluation of diagrammatic series and improves the convergence of diagrammatic Monte Carlo by eliminating the need for stochastic weighting between different topologies. We further outline how the construction can be generalized to finite-density electron systems.

cond-mat.str-el

Excitations across the equilibrium and photoinduced `hidden' states of magnetoresistive manganites

"Hidden" phases, generated using ultrafast laser pulses (few hundred femtoseconds), with properties distinct from thermodynamic equilibrium, are appealing for technologies because they can be long-lived, with lifetimes of hours or weeks, and reversible with temperature sweeping or extra pulses. In this regard, La$_{2/3}$Ca$_{1/3}$MnO$_3$ (LCMO) stands out due to its tunability through epitaxial strain, which can drive the bulk ferromagnetic metal (FMM) into an antiferromagnetic insulator (AFI), and its susceptibility to photo-induced transitions. Indeed, AFI LCMO displays a long-lived photo-induced transition into a putative 'hidden' phase whose exact nature and excitations are still largely unknown. Here, we combine ultrafast photo-excitation in the near infrared with in situ transport, x-ray absorption (XAS), and Resonant Inelastic X-ray Scattering (RIXS) to investigate the excitations (polarons, phonons, and orbital) of the photo-excited phase of LCMO and contrast them with the thermodynamic phases achieved through strain and temperature. In the thermodynamic regime, we establish the correlation between polarons and transport, placing them in the 'strong coupling' regime of the Holstein model. Upon photo-excitation of LCMO-AFI, we uncover a long-lived phase characterized by the softening of the polaron excitations, the partial suppression of the Jahn-Teller distortion, and nearly unchanged phonons, showing the emergence of a photo-excited state absent in the equilibrium phase diagram. Finally, by varying temperature, epitaxial strain, and photo-excitation fluence, we construct a polaron phase diagram and identify the key spectroscopic signatures of each phase. Our laser-RIXS approach establishes a versatile platform for exploring photo-induced 'hidden' phases in quantum materials in non-stroboscopic conditions.

cond-mat.str-el

Polarons with arbitrary nonlinear electron-phonon interaction

We develop an exact computational method based on numerical X-propagators for solving polaron models with arbitrary nonlinear couplings of local vibration modes to the electron density and magnitude of the hopping amplitude. Our approach covers various polaron models, some of which were impossible to treat by any existing approximation-free techniques. Moreover, it remains efficient in the most relevant but computationally challenging regime of phonon frequencies much smaller than the electron bandwidth. As a case study, we consider the double-well type nonlinear model with quadratic ($g_2<0$) and quartic ($g_4>0$) interactions describing a broad class of technologically important materials, such as quantum paraelectric compounds and halide perovskites. We observe, depending on the model parameters, three qualitatively different regimes: (i) quantum interplay of quartic and quadratic interactions which suppresses effects of the quadratic coupling, (ii) intermediate-coupling regime with exponential $\propto \exp(αg_2 Ω^{-1/4})$ scaling of the quasiparticle weight and mass renormalization, and (iii) strong-coupling asymptotic behavior.

cond-mat.str-el

Analytic method for quadratic polarons in nonparabolic bands

Including the effect of lattice anharmonicity on electron-phonon interactions has recently garnered attention due to its role as a necessary and significant component in explaining various phenomena, including superconductivity, optical response, and temperature dependence of mobility. This study focuses on analytically treating the effects of anharmonic electron-phonon coupling on the polaron self-energy, combined with numerical Diagrammatic Monte Carlo data. Specifically, we incorporate a quadratic interaction into the method of squeezed phonon states, which has proven effective for analytically calculating the polaron parameters. Additionally, we extend this method to nonparabolic finite-width conduction bands while maintaining the periodic translation symmetry of the system. Our results are compared with those obtained from Diagrammatic Monte Carlo, partially reported in a recent study [S. Ragni et al., Phys. Rev. B 107, L121109(2023)], covering a wide range of coupling strengths for the nonlinear interaction. Remarkably, our analytic method predicts the same features as the Diagrammatic Monte Carlo simulation.

cond-mat.other

Polaron with Quadratic Electron-phonon Interaction

We present the first numerically exact study of a polaron with quadratic coupling to the oscillator displacement, using two alternative methodological developments. Our results cover both anti-adiabatic and adiabatic regimes and the entire range of electron-phonon coupling $g_2$, from the system's stability threshold at attractive $g_2=-1$ to arbitrary strong repulsion at $g_2 \gg 1$. Key properties of quadratic polarons prove dramatically different from their linear counterparts. They (i) are insensitive even to large quadratic coupling except in the anti-adiabatic limit near the threshold of instability at attraction; (ii) depend only on the adiabatic ratio but are insensitive to the electron dispersion and dimension of space; (iii) feature weak lattice deformations even at the instability point. Our results are of direct relevance to properties of electrons at low densities in polar materials, including recent proposals for their superconducting states.

cond-mat.str-el

Diagrammatic quantum Monte Carlo study of an acoustic lattice polaron

We present the first approximation free diagrammatic Monte Carlo study of a lattice polaron interacting with an acoustic phonon branch through the deformation potential. Weak and strong coupling regimes are separated by a self-trapping region where quantum resonance between various possible lattice deformations is seen in the ground state properties, spectral function, and optical conductivity. The unique feature of such polaron is the interplay between long- and short wavelength acoustic vibrations creating a composite phonon cloud and leading to persistent self-trapping due to the existence of multiple quasi-stable states. This results in a spectral response whose structure is much more complex than in any of the previously considered polaron models.

cond-mat.str-el

Band-Order Anomaly at the γ-Al2O3/SrTiO3 Interface Drives the Electron-Mobility Boost

Rich functionalities of transition-metal oxides and their interfaces bear an enormous technological potential. Its realization in practical devices requires, however, a significant improvement of yet relatively low electron mobility in oxide materials. Recently, a mobility boost of about two orders of magnitude has been demonstrated at the spinel/perovskite γ-Al2O3/SrTiO3 interface compared to the paradigm perovskite/perovskite LaAlO3/SrTiO3. We explore the fundamental physics behind this phenomenon from direct measurements of the momentum-resolved electronic structure of this interface using resonant soft-X-ray angle-resolved photoemission. We find an anomaly in orbital ordering of the mobile electrons in γ-Al2O3/SrTiO3 which depopulates electron states in the top STO layer. This rearrangement of the mobile electron system pushes the electron density away from the interface that reduces its overlap with the interfacial defects and weakens the electron-phonon interaction, both effects contributing to the mobility boost. A crystal-field analysis shows that the band order alters owing to the symmetry breaking between the spinel γ-Al2O3 and perovskite SrTiO3. The band-order engineering exploiting the fundamental symmetry properties emerges as another route to boost the performance of oxide devices.

cond-mat.mtrl-sci

Inverse Spin Hall effect in ferromagnetic nanomagnet. Dependencies on magnetic field, current and current polarity

The measured Hall angle in a ferromagnetic nanomagnet shows a substantial non-linear dependence on an external magnetic field, which cannot be explained by adopted mechanisms of the Ordinary and Anomalous (AHE) Hall effects implying a linear plus constant dependence on the external magnetic field. We suggest that there is an additional non-linear contribution from the Inverse Spin Hall effect (ISHE). The significant contribution of ISHE in a ferromagnet is supported by perfect agreement of experiment with a phenomenological theory of ISHE. We observed different dependencies of AHE and ISHE on current suggesting their different thermal dependencies. We also observe dependence of the Hall angle of the current polarity which is due to the Spin Hall effect.

cond-mat.mes-hall

Fermi blockade of the electron-phonon interaction: why strong coupling effects may not be seen in optimally doped high temperature superconductors

We study how manifestations of strong electron-phonon interaction (EPI) depend on the carrier concentration by solving the two-dimensional Holstein model for the spin-polarized fermions using an approximation free bold-line diagrammatic Monte Carlo (BDMC) method. We show that the strong EPI, obviously present at very small Fermion concentration, is masked by the Fermi blockade effects and Migdal's theorem to the extent that it manifests itself as moderate one at large carriers densities. Suppression of strong EPI fingerprints is in agreement with experimental observations in doped high temperature superconductors

cond-mat.supr-con

Hall effect in ferromagnetic nanomagnets: magnetic field dependence as an evidence of inverse spin Hall effect contribution

We measure magnetic field dependence of the Hall angle in a metallic ferromagnetic nanomagnet with stable local magnetic moments where the adopted mechanisms of Hall effect predict linear plus a constant dependence on the external field originating from the ordinary and anomalous Hall effects, respectively. We suggest that the experimentally observed deviations from this dependence is caused by the inverse spin Hall effect (ISHE) and develop a phenomenological theory, which predicts a unique nonlinear dependence of the ISHE contribution on the external magnetic field. Perfect agreement between theory and experiment supports the considerable role of the ISHE in the Hall transport in ferromagnetic metals.

cond-mat.mes-hall

Electron-polaron dichotomy of charge carriers in perovskite oxides

Many transition metal oxides (TMOs) are Mott insulators due to strong Coulomb repulsion between electrons, and exhibit metal-insulator transitions (MITs) whose mechanisms are not always fully understood. Unlike most TMOs, minute doping in CaMnO3 induces a metallic state without any structural transformations. This material is thus an ideal platform to explore band formation through the MIT. Here, we use angle-resolved photoemission spectroscopy to visualize how electrons delocalize and couple to phonons in CaMnO3. We show the development of a Fermi surface where mobile electrons coexist with heavier carriers, strongly coupled polarons. The latter originate from a boost of the electron-phonon interaction (EPI). This finding brings to light the role that the EPI can play in MITs even caused by purely electronic mechanisms. Our discovery of the EPI-induced dichotomy of the charge carriers explains the transport response of Ce-doped CaMnO3 and suggests strategies to engineer quantum matter from TMOs.

cond-mat.mtrl-sci

Polaron mobility in the "beyond quasiparticles" regime

In a number of physical situations, from polarons to Dirac liquids and to non-Fermi liquids, one encounters the "beyond quasiparticles" regime, in which the inelastic scattering rate exceeds the thermal energy of quasiparticles. Transport in this regime cannot be described by the kinetic equation. We employ the Diagrammatic Monte Carlo method to study the mobility of a Fröhlich polaron in this regime and discover a number of non-perturbative effects: a strong violation of the Mott-Ioffe-Regel criterion at intermediate and strong couplings, a mobility minimum at $T \sim Ω$ in the strong-coupling limit ($Ω$ is the optical mode frequency), a substantial delay in the onset of an exponential dependence of the mobility for $T<Ω$ at intermediate coupling, and complete smearing of the Drude peak at strong coupling. These effects should be taken into account when interpreting mobility data in materials with strong electron-phonon coupling.

cond-mat.str-el

Electron-phonon coupling in undoped cuprate $YBa_2Cu_3O_6$ estimated from Raman and optical conductivity spectra

We study experimentally the Raman response of the undoped high-Tc parent compound $YBa_2Cu_3O_6$, and give a unified theory of the two-magnon Raman peak and optical conductivity based on the Hubbard-Holstein model with electron-phonon coupling (EPC). The Hubbard model without EPC can qualitatively account for the experimentally observed resonance of the Raman response, but only the Hubbard-Holstein model (i) reproduces asymmetry of the Raman spectrum, (ii) validates experimental visibility of the two-magnon peak, and (iii) predicts the correct shape and energy of the lower edge of the charge transfer gap in optical conductivity. Comparison of experiments with the theory gives the EPC strength $λ$ = 0.6. This result convincingly indicates the vital role of EPC in high-Tc cuprates providing a clue to the mechanism of high-Tc.

cond-mat.str-el

Electrons and polarons at oxide interfaces explored by soft-X-ray ARPES

Soft-X-ray ARPES (SX-ARPES) with its enhanced probing depth and chemical specificity allows access to fundamental electronic structure characteristics - momentum-resolved spectral function, band structure, Fermi surface - of systems difficult and even impossible for the conventional ARPES such as three-dimensional materials, buried interfaces and impurities. After a recap of the spectroscopic abilities of SX-ARPES, we review its applications to oxide interfaces, focusing on the paradigm LaAlO3-SrTiO3 interface. Resonant SX-ARPES at the Ti L-edge accentuates photoemission response of the mobile interface electrons and exposes their dxy-, dyz- and dxz-derived subbands forming the Fermi surface in the interface quantum well. After a recap of the electron-phonon interaction physics, we demonstrate that peak-dip-hump structure of the experimental spectral function manifests the Holstein-type large polaron nature of the interface charge carriers, explaining their fundamentally reduced mobility. Coupling of the charge carriers to polar soft phonon modes defines dramatic drop of mobility with temperature. Oxygen deficiency adds another dimension to the rich physics of LaAlO3-SrTiO3 resulting from co-existence of mobile and localized electrons introduced by oxygen vacancies. Oxygen deficiency allows tuning of the polaronic coupling and thus mobility of the charge carriers, as well as of interfacial ferromagnetism connected with various atomic configurations of the vacancies. Finally, we discuss spectroscopic evidence of phase separation at the LaAlO3-SrTiO3 interface. Concluding, we put prospects of SX-ARPES for complex heterostructures, spin-resolving experiments opening the totally unexplored field of interfacial spin structure, and in-operando field-effect experiments paving the way towards device applications of the reach physics of oxide interfaces.

cond-mat.mes-hall

Electric transport in three-dimensional Skyrmion/monopole crystal

We study theoretically the transport properties of a three-dimensional spin texture made from three orthogonal helices, which is essentially a lattice of monopole-antimonopole pairs connected by Skyrmion strings. This spin structure is proposed for MnGe based on the neutron scattering experiment as well as the Lorentz transmission electron microscopy observation. Equipped with a sophisticated spectral analysis method, we adopt finite temperature Green's function technique to calculate the longitudinal dc electric transport in such system. We consider conduction electrons interacting with spin waves of the topologically nontrivial spin texture, wherein fluctuations of monopolar emergent magnetic field enter. We study in detail the behavior of electric resistivity under the influence of temperature, external magnetic field and a characteristic monopole motion, especially a novel magnetoresistivity effect describing the latest experimental observations in MnGe, wherein a topological phase transition signifying strong correlation is identified.

cond-mat.mes-hall

Dark Continuum in the Spectral Function of the Resonant Fermi Polaron

We present controlled numerical results for the ground state spectral function of the resonant Fermi polaron in three dimensions. We establish the existence of a "dark continuum"---a region of anomalously low spectral weight between the narrow polaron peak and the rest of the spectral continuum. The dark continuum develops when the s-wave scattering length is of the order of the inverse Fermi wavevector, $a\lesssim 1/k_{\rm F}$, i.e. in the absence of a small interaction-related parameter when the spectral weight is not expected to feature a near-perfect gap structure after the polaron peak.

cond-mat.quant-gas

Numerical analytic continuation: Answers to well-posed questions

We formulate the problem of numerical analytic continuation in a way that lets us draw meaningful conclusions about properties of the spectral function based solely on the input data. Apart from ensuring consistency with the input data (within their error bars) and the {\it a priori} and {\it a posteriori} (conditional) constraints, it is crucial to reliably characterize the accuracy---or even ambiguity---of the output. We explain how these challenges can be met with two approaches: stochastic optimization with consistent constraints and the modified maximum entropy method. We perform illustrative tests for spectra with a double-peak structure, where we critically examine which spectral properties are accessible and which ones are lost. For an important practical example, we apply our protocol to the Fermi polaron problem.

cond-mat.other