We explore the competiton of doped holes and defects that leads to the loss of orbital order in vanadate perovskites. In compounds such as La$_{1-{\sf x}}$Ca$_{\,\sf x}$VO$_3$ spin and orbital order result from super-exchange interactions described by an extended three-orbital degenerate Hubbard-Hund model for the vanadium $t_{2g}$ electrons. Long-range Coulomb potentials of charged Ca$^{2+}$ defects and $e$-$e$ interactions control the emergence of defect states inside the Mott gap. The quadrupolar components of the Coulomb fields of doped holes induce anisotropic orbital rotations of degenerate orbitals. These rotations modify the spin-orbital polaron clouds and compete with orbital rotations induced by defects. Both mechanisms lead to a mixing of orbitals, and cause the suppression of the asymmetry of kinetic energy in the $C$-type magnetic phase. We find that the gradual decline of orbital order with doping, a characteristic feature of the vanadates, however, has its origin not predominantly in the charge carriers, but in the off-diagonal couplings of orbital rotations induced by the charges of the doped ions.
We present a model for typical charged defects in weakly doped Y1-xCaxVO3 perovskites and study how they influence the magnetic and orbital order. Starting from a multiband Hubbard model, we show that the charge carriers introduced by doping are bound to the Ca defects with large binding energy of about 1 eV at small doping, and give rise to the in-gap absorption band observed in the optical spectroscopy. The central position of a generic Ca defect with eight equidistant vanadium neighbors implies a partly filled defect band and permits activated transport due to Coulomb disorder. We explore t…
The modern multi-polaron theory predicts a polaronic Fermi-liquid state, but such a state has not been unambigously confirmed by experiment so far. Here we report theoretical and experimental studies of the isotope effects on the low temperature kinetic properties of the doped ferromagnetic manganites. Our results provide clear evidence for a novel polaronic Fermi-liquid state in doped oxides.
The electrical resistivity, Hall coefficient, and thermopower as functions of temperature are reported for lightly electron-doped Ca(1-x)La(x)MnO(3)(0 <= x <= 0.10). Unlike the case of hole-doped ferromagnetic manganites, the magnitude and temperature dependence of the Hall mobility for these compounds is found to be inconsistent with small-polaron theory. The transport data are better described by the Feynman polaron theory and imply intermediate coupling (alpha \~ 5.4) with a band effective mass, m*~4.3 m_0, and a polaron mass, m_p ~ 10 m_0.
We investigate the role of the double exchange mechanism for stability of the metallic C-type antiferromagnetic (C-AF) phase, which was observed experimentally in hole doped La$_{1-x}$Sr$_x$VO$_3$. The double exchange model treats localized electrons in xy orbitals as classical S=1/2 spins, which interact by Hund's exchange $J_H$ with yz/zx electrons in partly filled $t_{2g}$ orbitals. Including strong on-site Coulomb repulsion $U$ between $t_{2g}$ electrons, and using slave boson method we demonstrate that C-AF and metallic phase can be stabilized due to the specific features of the hopping i…
Colossal electroresistance (CER) in manganites, i.e., a large change in electrical resistance under the influence of either an applied electric field or an applied electric current, has often been described as complimentary to the colossal magnetoresistance (CMR) effect. Mixed valent vanadates with active t2g and empty eg orbitals, unlike manganites, have not naturally been discussed in this context, as double exchange based CMR is not realizable in them. However, presence of coupled spin and orbital degrees of freedom, metal-insulator transition (MIT) accompanied by orbital order-disorder tra…
We report experimental and theoretical evidence of strong electron-plasmon interaction in n-doped single-layer MoS2. Angle-resolved photoemission spectroscopy (ARPES) measurements reveal the emergence of distinctive signatures of polaronic coupling in the electron spectral function. Calculations based on many-body perturbation theory illustrate that electronic coupling to two-dimensional (2D) carrier plasmons provides an exhaustive explanation of the experimental spectral features and their energies. These results constitute compelling evidence of the formation of plasmon-induced polaronic qua…
Heterointerfaces in complex oxide systems open new arenas in which to test models of strongly correlated material, explore the role of dimensionality in metal-insulator-transitions (MITs) and small polaron formation. Close to the quantum critical point Mott MITs depend on band filling controlled by random disordered substitutional doping. Delta-doped Mott insulators are potentially free of random disorder and introduce a new arena in which to explore the effect of electron correlations and dimensionality. Epitaxial films of the prototypical Mott insulator GdTiO3 are delta-doped by substituting…
We study a periodic polaronic system, which exhibits a nanoscale superlattice structure, as a model for hole-doped cuprates with checkerboard-like heterogeneity, as has been observed recently by scanning tunneling microscopy (STM). Within this model, the electronic and phononic excitations are investigated by applying an unrestricted Hartree-Fock and a random phase approximation (RPA) to a multiband Peierls-Hubbard Hamiltonian in two dimensions.
We extend the methods recently introduced in Phys. Rev. Lett. 106 036401 (2011) to investigate correlations between two spin-polarons in a quasi-two-dimensional CuO2 layer. The low-energy wavefunctions for two doped holes introduced in a half-filled CuO2 plane with 32 copper and 64 oxygen sites are calculated explicitly using an efficient yet accurate truncation scheme to model the antiferromagnet background. The energetics and wavefucntions show that the charges form three-spin polarons and the spin is carried by a disturbance around the three-spin polaron core. The low-energy band results fr…
Artificial tuning of dielectric parameters can result from interface conductivity in polycrystalline materials. In ferroelectric single crystals, it was already shown that ferroelectric domain walls can be the source of such artificial coupling. We show here that low temperature dielectric losses can be tuned by a dc magnetic field. Since such losses were previously ascribed to polaron relaxation we suggest this results from the interaction of hopping polarons with the magnetic field. The fact that this losses alteration has no counterpart on the real part of the dielectric permittivity confir…
Single crystals of electron-doped SrMnO3 with a cubic perovskite structure have been systematically investigated as the most canonical (orbital-degenerate) double-exchange system, whose ground states have been still theoretically controversial. With only 1-2% electron doping by Ce substitution for Sr, a G-type antiferromagnetic metal with a tiny spin canting in a cubic lattice shows up as the ground state, where the Jahn-Teller polarons with heavy mass are likely to form. Further electron doping above 4%, however, replaces this isotropic metal with an insulator with tetragonal lattice distorti…
The nature of the polarons in the optimally doped colossal magnetoresistive (CMR) materials La0.7Ba0.3MnO3 (LBMO) and La0.7Sr0.3MnO3 (LSMO) is studied by elastic and inelastic neutron scattering. In both materials, dynamic nanoscale polaron correlations develop abruptly in the ferromagnetic state. However, the polarons are not able to lock-in to the lattice and order, in contrast to the behavior of La0.7Ca0.3MnO3. Therefore ferromagnetic order in LBMO and LSMO survives their formation, explaining the conventional second order nature of the ferromagnetic--paramagnetic transition. Nevertheless, …
Understanding the interplay between the structural, chemical and physical properties of nanomaterials is crucial for designing new devices with enhanced performance. In this regards, doping of metal oxides is a general strategy to tune size, morphology, charge, lattice, orbital and spin degrees of freedoms and has been shown to affect nanomaterials properties for photoelectrochemical water splitting, batteries, catalysis, magnetic applications and optics. Here we report the role of lattice small polaron in driving the morphological transition from nearly isotropic to nanowire crystals in Si do…
We report on the real space profile of spin polarons in the quasi two-dimensional frustrated dimer spin system SrCu2(BO3)2 doped with 0.16% of Zn. The 11B nuclear magnetic resonance spectrum exhibits 15 additional boron sites near non-magnetic Zn impurities. With the help of exact diagonalizations of finite clusters, we have deduced from the boron spectrum the distribution of local magnetizations at the Cu sites with fine spatial resolution, providing direct evidence for an extended spin polaron. The results are confronted with those of other experiments performed on doped and undoped samples …
We study a hole-doped two-leg ladder system including metal ions, oxygen, and electron-lattice interaction, as a model for Sr_{14-x}Ca_xCu_{24}O_{41-δ}. Single- and bi-polaronic states at 1/4-hole doping are modeled as functions of pressure by applying an unrestricted Hartree-Fock approximation to a multiband Peierls-Hubbard Hamiltonian. We find evidence for a pressure-induced phase transition between single-polaron and bi-polaron states. The electronic and phononic excitations in those states, including distinctive local lattice vibrational modes, are calculated by means of a direct-space Ran…
By calculating the electronic, orbital, magnetic and lattice structure of half-doped manganites we establish the central role of oxygen buckling caused by the tilting of the MnO$_6$ octahedra -- in essence a steric effect. The buckling itself does not change the Mn-Mn bonds. Instead it drives the system towards an instability where these bonds can dimerize. In presence of electron-electron interactions, this instability can fully develop and beyond a critical buckling a Zener polaron groundstate with dimerized spins, lattice and orbitals forms spontaneously, resulting in a multiferroic state.
Using variational algorithm on an infinite Shastry-Sutherland (SS) lattice we show that the introduction of a static nonmagnetic impurity into a dimerized ground state leads to a formation of a small, localized spin polaron surrounding the impurity site. Due to a particular symmetry of the SS lattice, the polaron is extremely anisotropic with a short spatial extent. The presence of nonmagnetic impurities leads to a formation of pronounced in-gap peaks in the dynamical spin structure factor, which we attribute to the spin-doublet excitations of a single unpaired spin $S=1/2$ surrounded by tripl…
By resonant x-ray scattering at the Mn K-edge on La7/8Sr1/8MnO3, we show that an orbital polaron lattice (OPL) develops at the metal-insulator transition of this compound. This orbital reordering explains consistently the unexpected coexistence of ferromagnetic and insulating properties at low temperatures, the quadrupling of the lattice structure parallel to the MnO2-planes, and the observed polarization and azimuthal dependencies. The OPL is a clear manifestation of strong orbital-hole interactions, which play a crucial role for the colossal magnetoresistance effect and the doped manganites …
Polaron spectral functions are computed for highly doped graphene-on-substrate and other atomically thin graphitic systems using the diagrammatic Monte Carlo technique. The specific aim is to investigate the effects of interaction on spectral functions when the symmetry between sub-lattices of a honeycomb lattice has been broken by the substrate or ionicity, inducing a band gap. Introduction of electron-phonon coupling leads to several polaronic features, such as band-flattening and changes in particle lifetimes. At the K point, differences between energies on each sub-lattice increase with el…
We present a numerical treatment of a spin-orbital polaron model for Na_xCoO_2 at small hole concentration (0.7 < x < 1). We demonstrate how the polarons account for the peculiar magnetic properties of this layered compound: They explain the large susceptibility; their internal degrees of freedom lead both to a negative Curie-Weiss temperature and yet to a ferromagnetic intra-layer interaction, thereby resolving a puzzling contradiction between these observations. We make specific predictions on the momentum and energy location of excitations resulting from the internal degrees of freedom of t…
In arXiv:1108.5413v1, Lee and Lee use several comparisons to argue that the physics of the three-band model found (Phys. Rev. Lett. 106 036401 (2011)) can be explained in the one-band model's framework (Phys. Rev. Lett. 91 057001 (2003)). While superficial similarities exist between the two sets of results, for reasons discussed in this reply, we disagree that they describe the same physics.
The 2D lattice gas model with competing short and long range interactions is appliedused for calculation of the incoherent charge transport in the classical strongly-correlated charge segregated polaronic state. We show, by means of Monte-Carlo simulations, that at high temperature the transport is dominated by hopping of the dissociated correlated polarons, where with thetheir mobility is inversely proportional to the temperature. At the temperatures below the clustering transition temperature the bipolaron transport becomes dominant. The energy barrier for the bipolaron hopping is determined…
We consider a spin Hamiltonian describing $d$-$d$ exchange interactions between localized spins $d$ of a finite antiferromagnet as well as $p$-$d$ interactions between a conducting hole ($p$) and localized spins. The spin Hamiltonian is solved numerically with use of Lanczos method of diagonalization. We conclude that $p$-$d$ exchange interaction leads to localization of magnetic polarons. Quantum fluctuations of the antiferromagnet strengthen this effect and make the formation of polarons localized in one site possible even for weak $p$-$d$ coupling. Total energy calculations, including the k…
Hole-doped LaMnO3 and electron-doped CaMnO3 form self-trapped electronic states. The spectra of these states have been calculated using a two orbital (Mn eg Jahn-Teller) model, from which the non-adiabatic optical conductivity spectra are obtained. In both cases the optical spectrum contains weight in the gap region, whose observation will indicate the self-trapped nature of the carrier states. The predicted spectra are proportional to the concentration of the doped carriers in the dilute regime, with coefficients calculated with no further model parameters.
We device and investigate numerically a minimal yet detailed spin polaron model that describes lightly doped CuO$_2$ layers. The low-energy physics of a hole is studied by total-spin-resolved exact diagonalization on clusters of up to 32 CuO$_2$ unit cells, revealing features missed by previous studies. In particular, spin-polaron states with total spin 3/2 are the lowest eigenstates in several regions of the Brillouin zone. In these regions, and also at other points the quasiparticle weight is identically zero, indicating orthogonal states to those represented in the one electron Green's func…
BaBiO3 is a prototype ``charge ordering system'' forming interpenetrating sublattices with nominal valence Bi(3+) and Bi(5+). It can also be regarded as a three-dimensional version of a Peierls insulator, the insulating gap being a consequence of an ordered distortion of oxygen atoms. When holes are added to BaBiO3 by doping, it remains insulating until a very large hole concentration is reached, at which point it becomes superconducting. The mechanism for insulating behavior of more lightly-doped samples is formation of small polarons or bipolarons. These are self-organized point defects in t…
Inelastic neutron scattering (INS), electron spin (ESR) and nuclear magnetic resonance (NMR) measurements were employed to establish the origin of the strong magnetic signal in lightly hole-doped La_{1-x}Sr_xCoO_3, x=0.002. Both, INS and ESR low temperature spectra show intense excitations with large effective g-factors ~10-18. NMR data indicate the creation of extended magnetic clusters. From the Q-dependence of the INS magnetic intensity we conclude that the observed anomalies are caused by the formation of octahedrally shaped spin-state polarons comprising seven Co ions.
CaMnO3 is a simple bi-partite antiferromagnet(AF) which can be continuously electron-doped up to LaMnO3. Electrons enter the doubly degenerate E_g subshell with spins aligned to the S=3/2 core of Mn^4+ (T_2g^3)$. We take the Hubbard and Hund energies to be effectively infinite. Our model Hamiltonian has two E_g orbitals per Mn atom, nearest neighbor hopping, nearest neighbor exchange coupling of the S=3/2 cores, and electron-phonon coupling of Mn orbitals to adjacent oxygen atoms. We solve this model for light doping. Electrons are confined in local ferromagnetic (FM) regions (spin polarons) w…
We report a 139La NMR investigation of low-doped insulating manganite samples (LaMnO(3+y) and La(1-x)Ca(x)MnO(3+y)) as a function of temperature. A volume fraction with fast nuclear relaxations was revealed by the inhomogeneous loss of the NMR signal over a broad temperature interval. Comparison with muSR data demonstrates that the wipe out of the 139La signal is mainly due to slowly fluctuating electric field gradients. This provides strong evidence for the slow diffusion of lattice excitations, identified with Jahn-Teller small polarons.
Charge transport in the hole-doped quasi-1D model system Y$_{2-x}$Ca$_x$BaNiO$_5$ (x $ leq$ 0.15) is investigated in the 50-300 K temperature range. The resistivity temperature dependence is characterized by a constant activation energy $E_{a}/k_{B} sim$ 1830 K at room temperature while $E_{a}$ decreases upon cooling. We suggest that $E_{a}$ measures the binding energy of the doped holes which form magneto-acoustic polarons when polarizing the neighboring Ni spins. A semi-classical model is proposed which allows to relate the electrical measurements and the bulk magnetic susceptibility. This m…
Present work demonstrates the formation of spin-orbital polarons in electron doped copper oxides, that arise due to doping-induced polarisation of the oxygen orbitals in the CuO$_2$ planes. The concept of such polarons is fundamentally different from previous interpretations. The novel aspect of spin-orbit polarons is best described by electrons becoming self-trapped in one-dimensional channels created by polarisation of the oxygen orbitals. The one-dimensional channels form elongated filaments with two possible orientations, along the diagonals of the elementary CuO$_2$ square plaquette. As t…
Inspired by the strong experimental evidence for the coexistence of localized and itinerant charge carriers close to the metal-insulator transition in the ferromagnetic phase of colossal magnetoresistive manganese perovskites, for a theoretical description of the CMR transition we propose a two-phase scenario with percolative characteristics between equal-density polaron and Zener band-electron states. We find that the subtle balance between these two states with distinctly different electronic properties can be readily influenced by varying physical parameters, producing various ``colossal'' …
We study the spectral function of a single hole doped into the (a,b) plane of the Mott insulator LaVO$_3$, with antiferromagnetic (AF) spin order of S=1 spins accompanied by alternating orbital (AO) order of active $\{d_{yz},d_{zx}\}$ orbitals. Starting from the respective t-J model, with spin-orbital superexchange and effective three-site hopping terms, we derive the polaron Hamiltonian and show that a hole couples simultaneously to the collective excitations of the AF/AO phase, magnons and orbitons. Next, we solve this polaron problem using the self-consistent Born approximation and find a s…
An unusual published energy versus wave vector curve extending to the zone edge determined by ARPES in 5% La-doped SrTiO3 is interpreted using mixed-polaron theory. After modification of the theory to permit tight-binding bare energy bands and anisotropy, a fit is made to the 24 points nearest to the Fermi energy, adding constraints (a) that the Fermi volume is approximately equal to that determined from the carrier concentration, and (b) that the transport mass from experiments is approximately twice the bare mass. In order to fit the remaining five of 29 observed points we empirically add th…
We investigate the doping dependence of the nanoscale electronic and magnetic inhomogeneities in the hole-doping range 0.002<x<0.1 of cobalt based perovskites, La{1-x}Sr_xCoO_3. Using single crystal inelastic neutron scattering and magnetization measurements we show that the lightly doped system exhibits magneto-electronic phase separation in form of spin-state polarons. Higher hole doping leads to a decay of spin-state polarons in favor of larger-scale magnetic clusters, due to competing ferromagnetic correlations of Co^{3+} ions which are formed by neighboring polarons. The present data give…
Elastic and inelastic neutron scattering experiments have been performed in a La$_{0.94}$Sr$_{0.06}$MnO$_3$ untwinned crystal, which exhibits an antiferromagnetic canted magnetic structure with ferromagnetic layers. The elastic small q scattering exhibits a modulation with an anisotropic q-dependence. It can be pictured by ferromagnetic inhomogeneities or polarons with a platelike shape, the largest size ($\approx17Å$) and largest inter-polaron distance ($\approx$ 38$Å$) being within the ferromagnetic layers. Comparison with observations performed on Ca-doped samples, which show the growth of …
In-plane, inter-carrier correlations in hole doped cuprates are investigated by ab initio multiconfiguration calculations. The dressed carriers display features that are reminiscent of both Zhang-Rice (ZR) CuO4 singlet states and Jahn-Teller polarons. The interaction between these quasiparticles is repulsive. At doping levels that are high enough, the interplay between long-range unscreened Coulomb interactions and long-range phase coherence among the O-ion half-breathing vibrations on the ZR plaquettes may lead to a strong reduction of the effective adiabatic energy barrier associated to each…
Distortions of the oxygen sublattice couple to $e_g$ orbitals of Mn$^{3+}$ and drive a cooperative Jahn-Teller (orbital ordering) transition in LaMnO$_3$. A simple model for this transition is studied. Without further adjustment, the model predicts the shape and stability of small (anti-Jahn-Teller) polarons which form when holes are doped into the material. This leads to a new description of the lightly doped insulator, the anti-ferromagnetic to ferromagnetic transition, and the metal-insulator transition.
In a recent Letter (Phys. Rev. Lett. 106, 036401 (2011)), Lau, et al. investigated the single hole problem in an effective model containing Cu $d$ and O $2p$ orbitals by exact diagonalization on clusters composed of 32 CuO$_2$ unit cells. With full quantum fluctuations due to the antiferromagnetic (AFM) backgroud, they found that spin-polaron solutions with spin 3/2 become lowest energy solutions in certain region of Brillouin zone (BZ), which they claimed no similiar solutions were obtained in other models or approximations before. In this Comment, we would like to point out that such high-sp…
Pressure sensitivity (up to 1 GPa) of the electrical resistivity and of the ac susceptibility was measured for low electron doping levels of Ca$_{1-x}$Y$_x$MnO$_3$ (CYMO) and of Ca$_{1-x}$Sm$_x$MnO$_3$ (CSMO) ceramic samples (0.05 $\leq$ x $\leq$ 0.15). A very weak pressure dependence of the Curie temperature (T$_c$) was observed for both systems ($\sim$ 6 K GPa$^{-1}$), when compared to the hole-doped manganites of the same T$_c$ ($\sim$ 20 K GPa$^{-1}$). Our results can be interpreted within a modified Double Exchange scenario, where pressure alters the reduction of the bandwidth produced by…
We investigate the excitation spectrum of strongly correlated sodium cobaltate within a realistic many-body description beyond dynamical mean-field theory (DMFT). At lower doping around $x$=0.3, rather close to Mott-critical half-filling, the single-particle spectral function of Na$_x$CoO$_2$ displays an upper Hubbard band which is captured within DMFT. Momentum-dependent self-energy effects beyond DMFT become dominant at higher doping. Around a doping level of $x\sim 0.67$, the incoherent excitations give way to finite-energy spin-polaron excitations in close agreement with optics experiments…
Temperature dependent electrical resistivity and thermopower measurements were carried out on Gd1-xCaxBaCo2O5.53 with x varying between 0 and 0.25. Ca subsitution leads to the incorporation of holes (Co4+) into the system that leads to a reduction in resistivity and a stabilisation of the ferromagnetic phase at low temperatures. The temperature dependence of resistivity and thermopower are markedly different in the Ca doped sample, with a dramatic reduction in the resistivity, as compared to that in the pristine sample. The variation in both the resistivity and thermopower with temperature is …
Doped perovskite cobaltites (e.g., La$_{1-x}$Sr$_x$CoO$_3$) have been extensively studied for their spin-state physics, electronic inhomogeneity, and insulator-metal transitions. Ferromagnetically-interacting spin-state polarons emerge at low $x$ in the phase diagram of these compounds, eventually yielding long-range ferromagnetism. The onset of long-range ferromagnetism ($x \approx 0.18$) is substantially delayed relative to polaron percolation ($x \approx 0.05$), however, generating a troubling inconsistency. Here, Monte-Carlo simulations of a disordered classical spin model are used to esta…
We study an effective one-dimensional (1D) orbital t-J model derived for strongly correlated e_g electrons in doped manganites. The ferromagnetic spin order at half filling is supported by orbital superexchange prop. to J which stabilizes orbital order with alternating x^2-y^2 and 3z^2-r^2 orbitals. In a doped system it competes with the kinetic energy prop. to t. When a single hole is doped to a half-filled chain, its motion is hindered and a localized orbital polaron is formed. An increasing doping generates either separated polarons or phase separation into hole-rich and hole-poor regions, …
Polaron-driven switching of octupolar order in doped 5d$^2$ double perovskite
University of Vienna（维也纳大学）；CPHT, CNRS, École polytechnique, Institut Polytechnique de Paris（巴黎综合理工学院）；Collège de France, Université PSL（法兰西公学院）；Department of Physics and Astronomy ”Augusto Righi”, Alma Mater Studiorum - Università di Bologna（博洛尼亚大学）
The structure of magnetic polarons (ferrons) is studied for an 1D antiferromagnetic chain doped by non-magnetic donor impurities. The conduction electrons are assumed to be bound by the impurities. Such a chain can be described as a set of ferrons at the antiferromagnetic background. We found that two types of ferrons can exist in the system. The ground state of the chain corresponds to the ferrons with the sizes of the order of the localization length of the electron near the impurity. The ferrons of the second type produce a more extended distortion of spins in the chain. They are stable wit…
The interaction Hamiltonian for a system of polarons a la Feynman in the presence of long range Coulomb interaction is derived and the dielectric function is computed in mean field. For large enough concentration a liquid of such particles becomes unstable. The onset of the instability is signaled by the softening of a collective optical mode in which all electrons oscillate in phase in their respective self-trapping potential. We associate the instability with a metallization of the system. Optical experiments in slightly doped cuprates and doped nickelates are analyzed within this theory. We…
Bismuth perovskites ABiO$_3$ (A = Sr, Ba) host a variety of peculiar phenomena including bond-disproportionated insulating phases and high-temperature superconductivity upon hole doping. While the mechanisms underlying these phenomena are still debated, off-diagonal electron-phonon ($e$-ph) coupling originating from the modulation of the orbital overlaps has emerged as a promising candidate. Here, we employ classical Monte Carlo simulations to study a semiclassical three-orbital model with off-diagonal $e$-ph interactions. We demonstrate the existence of a (bi)polaron correlations that persist…
We explore the effects of disordered charged defects on the electronic excitations observed in the photoemission spectra of doped transition metal oxides in the Mott insulating regime by the example of the $R_{1-x}$Ca$_x$VO$_3$ perovskites, where $R=$La,$\dots$,Lu. A fundamental characteristic of these vanadium $d^2$ compounds with partly filled $t_{2g}$ valence orbitals is the persistence of spin and orbital order up to high doping, in contrast to the loss of magnetic order in high-$T_c$ cuprates at low defect concentration. We demonstrate that the disordered electronic structure of doped Mot…
Altermagnetic polarons: the fate of alter magnetic band splittings at strong coupling
Universität Stuttgart（斯图加特大学）；University of Warsaw（华沙大学）；Leibniz-Institut für Festkörper- und Werkstoffforschung（莱布尼茨固体与材料研究所）；Technische Universität Dresden（德累斯顿工业大学）
In doped manganites, the strong electron-phonon coupling due to the Jahn-Teller effect localizes the conduction-band electrons as polarons. This results in polarons are carriers responsible for transport and ferromagnetic ordering rather than the bare eg electrons, and sequentially polaron exchange model is emerged for describing ferromagnetic ordering. In Pr0.7(Sr1-xCax)0.3MnO3(x=0.3-0.6) epitaxial thin films, for higher-temperature paramagnetic state and lower-temperature ferromagnetic state, both the temperature dependent transports present behaviors of small polaron; for paramagnetic-ferro…
The competition between antiferromagnetism and hole motion in two-dimensional Mott insulators lies at the heart of a doping-dependent transition from an anomalous metal to a conventional Fermi liquid. Condensed matter experiments suggest charge carriers change their nature within this crossover, but a complete understanding remains elusive. We observe such a crossover in Fermi-Hubbard systems on a cold-atom quantum simulator and reveal the transformation of multi-point correlations between spins and holes upon increasing doping at temperatures around the superexchange energy. Conventional obse…
The hole-doped manganite La0.7Ca0.3MnO3 and the electron-doped manganite La0.7Ce0.3MnO3 undergo an insulator to metal transition at around 250 K, above which both behave as a polaronic semiconductor. We have successfully fabricated an epitaxial trilayer (La0.7Ca0.3MnO3/SrTiO3/La0.7Ce0.3MnO3), where SrTiO3 is an insulator. At room temperature, i.e. in the semiconducting regime, it exhibits asymmetric current-voltage (I-V) characteristics akin to a p-n diode. The observed asymmetry in the I-V characteristics disappears at low temperatures where both the manganite layers are metallic. To the best…
We address the spectral properties of Mott insulators with orbital degrees of freedom, and investigate cases where the orbital symmetry leads to Ising-like superexchange in the orbital sector. The paradigm of a hole propagating by its coupling to quantum fluctuations, known from the spin t-J model, then no longer applies. We find instead that when one of the two orbital flavors is immobile, as in the Falicov-Kimball model, trapped orbital polarons coexist with free hole propagation emerging from the effective three-site hopping in the regime of large on-site Coulomb interaction U. The spectral…
The author reports on new high-fidelity simulations of charge carriers in the high-T$_c$ cuprate materials using quantum Monte Carlo techniques applied to the first principles Hamiltonian. With this high accuracy technique, the doped ground state is found to be a spin polaron, in which charge is localized through a strong interaction with the spin. This spin polaron has calculated properties largely similar to the phenomenology of the cuprates, and may be the object which forms the Fermi surface and charge inhomogeneity in these materials. The spin polaron has some unique features that should …
We present a variational approach based on the string picture to analyze the internal structure and dispersion of spin polarons with different symmetries in an antiferromagnet. We then use this to discuss the properties of underdoped cuprate superconductor within the `doped insulator' picture. The theory explains the remnant Fermi surface for the undoped compunds, as well as hole pockets, Fermi arcs, high energy pseudogap and the the mid-infrared band in doped materials. Destructive interference between the phases of a photohole near $Γ$ and the internal phases of the Zhang Rice singlet combin…
