arXiv subjects

Andrzej M. Oleś

Publications and source records attributed to Andrzej M. Oleś.

At least 55 records · Page 3Linked to original sources

arXiv2018

$d-p$ model and spin-orbital order in the vanadium perovskites

Using the multi-band $d-p$ model and unrestricted Hartree-Fock approximation we investigate the electronic structure and spin-orbital order in three-dimensional VO$_3$ lattice. The main aim of this investigation is testing if simple $d-p$ model, with partly filled $3d$ orbitals (at vanadium ions) and $2p$ orbitals (at oxygen ions), is capable of reproducing correctly nontrivial coexisting spin-orbital order observed in the vanadium perovskites. We point out that the multi-band $d-p$ model has to include partly filled $e_g$ orbitals at vanadium ions. The results suggest weak self-doping as an important correction beyond the ionic model and reproduce the possible ground states with broken spin-orbital symmetry on vanadium ions: either $C$-type alternating orbital order accompanied by $G$-type antiferromagnetic spin order, or $G$-type alternating orbital order accompanied by $C$-type antiferromagnetic spin order. Both states are experimentally observed and compete with each other in YVO$_3$ while only the latter was observed in LaVO$_3$. Orbital order is induced and stabilized by particular patterns of oxygen distortions arising from the Jahn-Teller effect. In contrast to time-consuming \textit{ab-initio} calculations, the computations using $d-p$ model are very quick and should be regarded as very useful in solid state physics, provided the parameters are selected carefully.

cond-mat.str-el↗

arXiv2018

Quantum coherence in a compass chain under an alternating magnetic field

We investigate quantum phase transitions and quantum coherence in a quantum compass chain under an alternating transverse magnetic field. The model can be analytically solved by the Jordan-Wigner transformation and this solution shows that it is equivalent to a two-component one-dimensional (1D) Fermi gas on a lattice. We explore mutual effects of the staggered magnetic interaction and multi-site interactions on the energy spectra and analyze the ground state phase diagram. We use quantum coherence measures to identify the quantum phase transitions. Our results show that $l_1$ norm of coherence fails to detect faithfully the quantum critical points separating a gapped phase from a gapless phase, which can be pinpointed exactly by relative entropy of coherence. Jensen-Shannon divergence is somewhat obscure at exception points. We also propose an experimental realization of such a 1D system using superconducting quantum circuits.

cond-mat.str-el↗

arXiv2018

Spin-orbital model of stoichiometric LaMnO$_3$ with tetragonal distortions

The model developed for LaMnO$_3$ addresses the spin-orbital order by superexchange and Jahn-Teller orbital interactions in the cubic (perovskite) symmetry up to now whereas real crystal structure is strongly deformed. We identify and explain three \textit{a priori} important physical effects arising from tetragonal deformation: (i) the splitting of $e_g$ orbitals $\propto E_z$, (ii) the directional renormalization of $d-p$ hybridization $t_{pd}$, and (iii) the directional renormalization of charge excitation energies. Using the example of LaMnO$_3$ crystal we evaluate their magnitude. It is found that the major effects of deformation are enhanced amplitude of $x^2-y^2$ orbitals induced in the orbital order by $E_z\simeq 300$ meV and anisotropic $t_{pd}\simeq 2.0$ (2.35) eV along the $ab$ ($c$) cubic axis, in very good agreement with the Harrison's law. We show that the tetragonal model analyzed within mean field approximation provides a surprisingly consistent picture of the ground state. Excellent agreement with the experimental data is obtained simultaneously for: (i) $e_g$ orbital mixing angle, (ii)~spin exchange constants, and (iii) the temperatures of spin and orbital phase transition.

cond-mat.str-el↗

arXiv2017

Fingerprints of spin-orbital polarons and of their disorder in the photoemission spectra of doped Mott insulators with orbital degeneracy

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 Mott-Hubbard insulators can be obtained with high precision within the unrestricted Hartree-Fock approximation. In particular: (i) the atomic multiplet excitations in the inverse photoemission spectra and the various defect-related states and satellites are well reproduced, (ii) a robust Mott gap survives up to large doping, and (iii) we show that the defect states inside the Mott gap develop a soft gap at the Fermi energy. The soft defect states gap can be characterized by a shape and a scale parameter extracted from a Weibull statistical sampling of the density of states near the chemical potential. We demonstrate that charge defects trigger small spin-orbital polarons, with their internal kinetic energy responsible for the opening of the soft defect states gap. The small size of spin-orbital polarons is inferred by an analysis of the inverse participation ratio which explains the origin of the robustness of spin and orbital order. Using realistic parameters for La$_{1-x}$Ca$_x$VO$_3$, we show that its soft gap is well reproduced as well as the marginal doping dependence of the position of the chemical potential relative to the center of the lower Hubbard band.

cond-mat.str-el↗

arXiv2017

The ab initio study of unconventional superconductivity in CeCoIn$_{5}$ and FeSe

Electronic structure and the shape of the Fermi surface are known to be of fundamental importance for the superconducting instability in real materials. We demonstrate that such an instability may be explored by static Cooper pair susceptibility renormalized by pairing interaction and present an efficient method of its evaluation using Wannier orbitals derived from ab initio calculation. As an example, this approach is used to search for an unconventional superconducting phase of the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) type in a heavy-fermion compound CeCoIn$_5$ and an iron-based superconductor FeSe. The results suggest that the FFLO superconducting phase occurs at finite magnetic field in both materials.

cond-mat.supr-con↗

arXiv2017

Orbital Physics

A tutorial introduction into the principles of Orbital Physics in strongly correlated transition metal oxides.

cond-mat.str-el↗

arXiv2017

Order in Quantum Compass and Orbital $e_g$ Models

We investigate thermodynamic phase transitions in the compass model and in $e_g$ orbital model on an infinite square lattice by variational tensor network renormalization (VTNR) in imaginary time. The onset of nematic order in the quantum compass model is estimated at ${\cal T}_c/J=0.0606(4)$. For~the $e_g$ orbital model one finds: ($i$) a very accurate estimate of ${\cal T}_c/J=0.3566\pm 0.0001$ and ($ii$)~the~critical exponents in the Ising universality class. Remarkably large difference in frustration results in so distinct values of ${\cal T}_c$, while entanglement influences the quality of ${\cal T}_c$ estimation.

cond-mat.str-el↗

arXiv2017

Overcoming the Sign Problem at Finite Temperature: Quantum Tensor Network for the Orbital $e_g$ Model on an Infinite Square Lattice

The variational tensor network renormalization approach to two-dimensional (2D) quantum systems at finite temperature is applied for the first time to a model suffering the notorious quantum Monte Carlo sign problem --- the orbital $e_g$ model with spatially highly anisotropic orbital interactions. Coarse-graining of the tensor network along the inverse temperature $β$ yields a numerically tractable 2D tensor network representing the Gibbs state. Its bond dimension $D$ --- limiting the amount of entanglement --- is a natural refinement parameter. Increasing $D$ we obtain a converged order parameter and its linear susceptibility close to the critical point. They confirm the existence of finite order parameter below the critical temperature $T_c$, provide a numerically exact estimate of~$T_c$, and give the critical exponents within $1\%$ of the 2D Ising universality class.

cond-mat.str-el↗

arXiv2017

Orbiton-magnon interplay in the spin-orbital polarons of KCuF3 and LaMnO3

We present a quasi-analytical solution of a spin-orbital model of KCuF$_{3}$, using the variational method for Green's functions. By analyzing the spectra for different partial bosonic compositions as well as the full solution, we show that hole propagation needs both orbiton and magnon excitations to develop, but the orbitons dominate the picture. We further elucidate the role of the different bosons by analyzing the self-energies for simplified models, establishing that because of the nature of the spin-orbital ground state, magnons alone do not produce a full quasiparticle band, in contrast to orbitons. Finally, using the electron-hole transformation between the $e_g$ states of KCuF$_3$ and LaMnO$_3$ we suggest the qualitative scenario for photoemission experiments in LaMnO$_3$.

cond-mat.str-el↗

arXiv2017

Topological Phases emerging from Spin-Orbital Physics

We study the evolution of spin-orbital correlations in an inhomogeneous quantum system with an impurity replacing a doublon by a holon orbital degree of freedom. Spin-orbital entanglement is large when spin correlations are antiferromagnetic, while for a ferromagnetic host we obtain a pure orbital description. In this regime the orbital model can be mapped on spinless fermions and we uncover topological phases with zero energy modes at the edge or at the domain between magnetically inequivalent regions.

cond-mat.str-el↗

arXiv2017

Emergent phases in a compass chain with multisite interactions

We study a dimerised spin chain with biaxial magnetic interacting ions in the presence of an externally induced three-site interactions out of equilibrium. In the general case, the three-site interactions play a role in renormalizing the effective uniform magnetic field. We find that the existence of zero-energy Majorana modes is intricately related to the sign of Pfaffian of the Bogoliubov-de Gennes Hamiltonian and the relevant $Z_2$ topological invariant. In contrast, we show that an exotic spin liquid phase can emerge in the compass limit through a Berezinskii-Kosterlitz-Thouless (BKT) quantum phase transition. Such a BKT transition is characterized by a large dynamic exponent $z=4$, and the spin-liquid phase is robust under a uniform magnetic field. We find the relative entropy and the quantum discord can signal the BKT transitions. We also uncover a few differences in deriving the correlation functions for the systems with broken reflection symmetry.

cond-mat.str-el↗

arXiv2017

Driving Topological Phases by Spatially Inhomogeneous Pairing Centers

We investigate the effect of periodic and disordered distributions of pairing centers in a one-dimensional itinerant system to obtain the microscopic conditions required to achieve an end Majorana mode and the topological phase diagram. Remarkably, the topological invariant can be generally expressed in terms of the physical parameters for any pairing center configuration. Such a fundamental relation allows us to unveil hidden local symmetries and to identify trajectories in the parameter space that preserve the non-trivial topological character of the ground state. We identify the phase diagram with topologically non-trivial domains where Majorana modes are completely unaffected by the spatial distribution of the pairing centers. These results are general and apply to several systems where inhomogeneous perturbations generate stable Majorana modes.

cond-mat.str-el↗

arXiv2017

Coherent generation of symmetry-forbidden phonons by light-induced electron-phonon interactions in magnetite

Symmetry breaking across phase transitions often causes changes in selection rules and emergence of optical modes which can be detected via spectroscopic techniques or generated coherently in pump-probe experiments. In second-order or weakly first-order transitions, fluctuations of the order parameter are present above the ordering temperature, giving rise to intriguing precursor phenomena, such as critical opalescence. Here, we demonstrate that in magnetite (Fe$_3$O$_4$) light excitation couples to the critical fluctuations of the charge order and coherently generates structural modes of the ordered phase above the critical temperature of the Verwey transition. Our findings are obtained by detecting coherent oscillations of the optical constants through ultrafast broadband spectroscopy and analyzing their dependence on temperature. To unveil the coupling between the structural modes and the electronic excitations, at the origin of the Verwey transition, we combine our results from pump-probe experiments with spontaneous Raman scattering data and theoretical calculations of both the phonon dispersion curves and the optical constants. Our methodology represents an effective tool to study the real-time dynamics of critical fluctuations across phase transitions.

cond-mat.mtrl-sci↗

arXiv2017

Magnetic Lifshitz transition and its consequences in multi-band iron-based superconductors

In this paper we address Lifshitz transition induced by applied external magnetic field in a case of iron-based superconductors, in which a difference between the Fermi level and the edges of the bands is relatively small. We introduce and investigate a two-band model with intra-band pairing in the relevant parameters regime to address a generic behaviour of a system with hole-like and electron-like bands in external magnetic field. Our results show that two Lifshitz transitions can develop in analysed systems and the first one occurs in the superconducting phase and takes place at approximately constant magnetic field. The chosen sets of the model parameters can describe characteristic band structure of iron-based superconductors and thus the obtained results can explain the experimental observations in FeSe and Co-doped BaFe$_{2}$As$_{2}$ compounds.

cond-mat.supr-con↗

arXiv2016

Green's function variational approach to orbital polarons in KCuF3

We develop an $e_g$ orbital, $t$-$J$-like model of a single charge doped into a two-dimensional plane with ferromagnetic spin order and alternating orbital order, and present its solution by Green's functions in the variational approximation framework. The model is designed to represent the orbital physics within ferromagnetic $(a,b)$ planes of KCuF$_3$ and K$_2$CuF$_4$. The variational approximation (VA) relies on the systematic generation of equations of motion for the Green's function, taking into account the real-space constraints coming from the exclusion of doubly occupied sites. This method is compared to the firmly established self-consistent Born approximation, and to the variational cluster approximation (VCA) which relies on the itinerant regime of the model. We find that the present variational approximation captures the essential aspects of the spectral weight distribution of the coherent quasiparticle state and gives a result similar to the VCA, while also reproducing well the momentum dependence of the spectral moments. In contrast, the spectral function obtained within the self-consistent Born approximation is more incoherent and its quasiparticle is heavier, at strong effective couplings, than observed with VCA and VA.

cond-mat.str-el↗

arXiv2016

Spin-orbital order in undoped manganite LaMnO3 at finite temperature

We investigate the evolution of spin and orbital order in undoped LaMnO$_3$ under increasing temperature with a model including both superexchange and Jahn-Teller interactions. We used several cluster mean field calculation schemes and find coexisting $A$-type antiferromagnetic ($A$-AF) and $C$-type alternating orbital order at low temperature. The value of the Jahn-Teller coupling between strongly correlated $e_g$ orbitals is estimated from the orbital transition temperature at $T_{\rm OO}\simeq 780$ K. By a careful analysis of on-site and on-bond correlations we demonstrate that spin-orbital entanglement is rather weak. We have verified that the magnetic transition temperature is influenced by entangled spin-orbital operators as well as by entangled orbital operators on the bonds but the errors introduced by decoupling such operators partly compensate each other. Altogether, these results justify why the commonly used disentangled spin-orbital model is so successful in describing the magnetic properties and the temperature dependence of the optical spectral weights for LaMnO$_3$.

cond-mat.str-el↗

arXiv2016

The Green function variational approximation: Significance of physical constraints

We present a calculation of the spectral properties of a single charge doped at a Cu($3d$) site of the Cu-F plane in KCuF$_{3}$. The problem is treated by generating the equations of motion for the Green's function by means of subsequent Dyson expansions and solving the resulting set of equations. This method, dubbed the variational approximation, is both very dependable and flexible, since it is a systematic expansion with precise control over elementary physical processes. It allows for deep insight into the underlying physics of polaron formation as well as for inclusion of many physical constraints, such as excluding crossing diagrams and double occupation constraint, which are not included in the Self-Consistent Born Approximation. Here we examine the role and importance of such constraints by analyzing various spectral functions obtained in second order VA.

cond-mat.str-el↗

arXiv2016

Electronic properties in a quantum well structure of Weyl semimetal

We investigate the confined states and transport of three-dimensional Weyl electrons around a one-dimensional external rectangular electrostatic potential. Confined states with finite transverse wave vector exist at energies higher than the half well depth or lower than the half barrier height. The rectangular potential appears completely transparent to normal incident electrons but not otherwise. The tunneling transmission coefficient is sensitive to their incident angle and shows resonant peaks when their energy coincides with the confined spectra. In addition, for electrons in the conduction (valence) band through a potential barrier (well), the transmission spectrum has a gap of width increasing with the incident angle. Interestingly, the electron linear zero-temperature conductance over the potential can approach zero when the Fermi energy is aligned to the top and bottom energies of the potential, when only electron beams normal to the potential interfaces can pass through. The considered structure can be used to collimate Weyl electron beams.

cond-mat.mes-hall↗