arXiv subjects

Andrzej M. Oleś

Publications and source records attributed to Andrzej M. Oleś.

At least 91 records · Page 5Linked to original sources

arXiv2014

Exotic Spin Order due to Orbital Fluctuations

We investigate the phase diagrams of the spin-orbital $d^9$ Kugel-Khomskii model for increasing system dimensionality: from the square lattice monolayer, via the bilayer to the cubic lattice. In each case we find strong competition between different types of spin and orbital order, with entangled spin-orbital phases at the crossover from antiferromagnetic to ferromagnetic correlations in the intermediate regime of Hund's exchange. These phases have various types of exotic spin order and are stabilized by effective interactions of longer range which follow from enhanced spin-orbital fluctuations. We find that orbital order is in general more robust and spin order melts first under increasing temperature, as observed in several experiments for spin-orbital systems.

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arXiv2014

Hole propagation in the orbital compass models

We explore the propagation of a single hole in the generalized quantum compass model which interpolates between fully isotropic antiferromagnetic (AF) phase in the Ising model and nematic order of decoupled AF chains for frustrated compass interactions. We observe coherent hole motion due to either interorbital hopping or due to the three-site effective hopping, while quantum spin fluctuations in the ordered background do not play any role.

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arXiv2014

Locally tunable disorder and entanglement in the one-dimensional plaquette orbital model

We introduce a one-dimensional plaquette orbital model with a topology of a ladder and alternating interactions between $x$ and $z$ pseudospin components along both the ladder legs and on the rungs. We show that it is equivalent to an effective spin model in a magnetic field, with spin dimers that replace plaquettes and are coupled along the chain by three-spin interactions. Using perturbative treatment and mean field approaches with dimer correlations we study the ground state spin configuration and its defects in the lowest excited states. By the exact diagonalization approach we find that the quantum effects in the model are purely short-range and we get estimated values of the ground state energy and the gap in the thermodynamic limit from the system sizes up to $L=12$ dimers. Finally, we study a class of excited states with classical-like defects accumulated in the central region of the chain to find that in this region the quantum entanglement measured by the mutual information of neighboring dimers is locally increased and coincides with disorder and frustration. Such islands of entanglement in otherwise rather classical system may be of interest in the context of quantum computing devices.

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arXiv2014

Quantum phase transitions in exactly solvable one-dimensional compass models

We present an exact solution for a class of one-dimensional compass models which stand for interacting orbital degrees of freedom in a Mott insulator. By employing the Jordan-Wigner transformation we map these models on noninteracting fermions and discuss how spin correlations, high degeneracy of the ground state, and $Z_2$ symmetry in the quantum compass model are visible in the fermionic language. Considering a zigzag chain of ions with singly occupied $e_g$ orbitals ($e_g$ orbital model) we demonstrate that the orbital excitations change qualitatively with increasing transverse field, and that the excitation gap closes at the quantum phase transition to a polarized state. This phase transition disappears in the quantum compass model with maximally frustrated orbital interactions which resembles the Kitaev model. Here we find that finite transverse field destabilizes the orbital-liquid ground state with macroscopic degeneracy, and leads to peculiar behavior of the specific heat and orbital susceptibility at finite temperature. We show that the entropy and the cooling rate at finite temperature exhibit quite different behavior near the critical point for these two models.

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arXiv2014

Short-Range Correlations in Magnetite above the Verwey Temperature

Magnetite, Fe$_3$O$_4$, is the first magnetic material discovered and utilized by mankind in Ancient Greece, yet it still attracts attention due to its puzzling properties. This is largely due to the quest for a full and coherent understanding of the Verwey transition that occurs at $T_V=124$ K and is associated with a drop of electric conductivity and a complex structural phase transition. A recent detailed analysis of the structure, based on single crystal diffraction, suggests that the electron localization pattern contains linear three-Fe-site units, the so-called trimerons. Here we show that whatever the electron localization pattern is, it partially survives up to room temperature as short-range correlations in the high-temperature cubic phase, easily discernible by diffuse scattering. Additionally, {\it ab initio} electronic structure calculations reveal that characteristic features in these diffuse scattering patterns can be correlated with the Fermi surface topology.

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arXiv2013

Mechanism of hole propagation in the orbital compass models

We explore the propagation of a single hole in the quantum compass model, whose nematic ground state is given by mutually decoupled antiferromagnetic chains. The compass model can be seen as the strong-coupling limit of a spinless two-band Hubbard model, which we study here using mean field theory and the variational cluster approach. Due to the symmetries of the compass model, the inherent disorder along one lattice direction turns out not to affect hole motion and doping a hole consequently does not lift the subextensive degeneracy of the nematic phase. In order to broaden and deepen understanding, we derive a generalized itinerant model and address the transition to two-dimensional Ising order. We observe coherent hole motion in both the nematic and the antiferromagnetic phases, also in the presence of quantum fluctuations away from pure Ising exchange. In addition to quantum fluctuations and interorbital hopping, three-site hopping is found to play an important role and to dominate propagation in the two-dimensional Ising limit as well as along the antiferromagnetic chains in the nematic order which forms in the compass model.

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arXiv2013

Topological Order in an Entangled SU(2)$\otimes$XY Spin-Orbital Ring

We present rigorous topological order which emerges in a one-dimensional spin-orbital model due to the ring topology. Although an exact solution of a spin-orbital ring with SU(2) spin and XY orbital interactions separates spins from orbitals by means of a unitary transformation, the spins are not independent when the ring is closed, but form two half-rings carrying opposite pseudomomenta. We show that an inverse transformation back to the physical degrees of freedom entangles the spin half-rings with the orbitals once again. This surprising correlation arises on changing the topology from an open to a closed chain, which reduces the degeneracy of the ground-state manifold, leaving in it only the states in which pseudomomenta compensate each other.

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arXiv2013

Exact spectral function for hole-magnon coupling in the ferromagnetic CuO$_3$-like chain

We present the exact spectral function for a single oxygen hole with spin opposite to ferromagnetic order within a one-dimensional CuO$_{3}$-like spin chain. We find that local Kondo-like exchange interaction generates five different states in the strong coupling regime. It stabilizes a spin polaron which is a bound state of a moving charge dressed by magnon excitations, with essentially the same dispersion as predicted by mean field theory. We then examine in detail the evolution of the spectral function for increasing strength of the hole-magnon interaction. We also demonstrate that the $s$ and $p$ symmetry of orbital states in the conduction band are essentially equivalent to each other and find that the simplified models do not suffice to reproduce subtle aspects of hole-magnon coupling in the charge-transfer model.

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arXiv2013

A possibility of high spin hole states in doped CoO$_2$ layered systems

We introduce and investigate an effective five-band model for $t_{2g}$ and $e_g$ electrons to describe doped cobalt oxides with Co$^{3+}$ and Co$^{4+}$ ions in two-dimensional CoO$_2$ triangular lattice layers, as in Na$_{1-x}$CoO$_2$. The effective Hamiltonian includes anisotropic kinetic energy (due to both direct Co-Co and indirect Co-O-Co hoppings), on-site Coulomb interactions parameterized by intraorbital Hubbard repulsion $U$ and full Hund's exchange tensor, crystal-field terms and Jahn-Teller static distortions. We study it using correlated wave functions on $6\times 6$ clusters with periodic boundary conditions. The computations indicate low S=0 spin to high S=2 spin abrupt transition in the undoped systems when increasing strength of the crystal field, while intermediate S=1 spins are not found. Surprisingly, for the investigated realistic Hamiltonian parameters describing low spin states in CoO$_2$ planes, doping generates high $S=\frac{5}{2}$ spins at Co$^{4+}$ ions that are pairwise bound into singlets, seen here as pairs of up and down spins. It is found that such singlet pairs self-organize at higher doping into lines of spins with coexisting antiferromagnetic and ferromagnetic bonds, forming stripe-like structures. The ground states are insulating within the investigated range of doping because computed HOMO-LUMO gaps are never small enough.

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arXiv2013

Defect states and excitations in a Mott insulator with orbital degrees of freedom: Mott-Hubbard gap versus optical and transport gaps in doped systems

We address the role played by charged defects in doped Mott insulators with active orbital degrees of freedom. It is observed that defects feature a rather complex and rich physics, which is well captured by a degenerate Hubbard model extended by terms that describe crystal-field splittings and orbital-lattice coupling, as well as by terms generated by defects such as the Coulomb potential terms that act both on doped holes and on electrons within occupied orbitals at undoped sites. We show that the multiplet structure of the excited states generated in such systems by strong electron interactions is well described within the unrestricted Hartree-Fock approximation, once the symmetry breaking caused by the onset of magnetic and orbital order is taken into account. Furthermore, we uncover new spectral features that arise within the Mott-Hubbard gap and in the multiplet spectrum at high energies due to the presence of defect states and strong correlations. These features reflect the action on electrons/holes of the generalized defect potential that affects charge and orbital degrees of freedom, and indirectly also spin ones. The present study elucidates the mechanism behind the Coulomb gap appearing in the band of defect states and investigates the dependence on the electron-electron interactions and the screening by the orbital polarization field. As an illustrative example of our general approach, we present explicit calculations for the model describing three t_2g orbital flavors in the perovskite vanadates doped by divalent Sr or Ca ions, such as in La_(1-x)Sr_xVO_3 and Y_(1-x)Ca_xVO_3 systems. We analyze the orbital densities at vanadium ions in the vicinity of defects, and the excited defect states which determine the optical and transport gaps in doped systems.

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arXiv2013

Symmetry properties and spectra of the two-dimensional quantum compass model

We use exact symmetry properties of the two-dimensional quantum compass model to derive nonequivalent invariant subspaces in the energy spectra of $L\times L$ clusters up to L=6. The symmetry allows one to reduce the original $L\times L$ compass cluster to the $(L-1)\times (L-1)$ one with modified interactions. This step is crucial and enables: (i) exact diagonalization of the $6\times 6$ quantum compass cluster, and (ii) finding the specific heat for clusters up to L=6, with two characteristic energy scales. We investigate the properties of the ground state and the first excited states and present extrapolation of the excitation energy with increasing system size. Our analysis provides physical insights into the nature of nematic order realized in the quantum compass model at finite temperature. We suggest that the quantum phase transition at the isotropic interaction point is second order with some admixture of the discontinuous transition, as indicated by the entropy, the overlap between two types of nematic order (on horizontal and vertical bonds) and the existence of the critical exponent. Extrapolation of the specific heat to the $L\to\infty$ limit suggests the classical nature of the quantum compass model and high degeneracy of the ground state with nematic order.

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arXiv2013

Strong Effects of Cation Vacancies on the Electronic and Dynamical Properties of FeO

We report pronounced modifications of electronic and vibrational properties induced in FeO by cation vacancies, obtained within density functional theory incorporating strong local Coulomb interactions at Fe atoms. The insulating gap of FeO is reduced by about 50% due to unoccupied electronic bands introduced by trivalent Fe ions stabilized by cation vacancies. The changes in the electronic structure along with atomic displacements induced by cation vacancies affect strongly phonon dispersions via modified force constants, including those at atoms beyond nearest neighbors of defects. We demonstrate that theoretical phonon dispersions and their densities of states reproduce the results of inelastic neutron and nuclear resonant x-ray scattering experiments \emph{only} when Fe vacancies and Coulomb interaction $U$ are both included explicitly in \emph{ab initio} simulations, which also suggests that the electron-phonon coupling in FeO is strong.

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arXiv2013

Exotic spin orders driven by orbital fluctuations in the Kugel-Khomskii model

We study zero temperature phase diagram of the three-dimensional Kugel-Khomskii model on a cubic lattice using the cluster mean field theory and different perturbative expansions in the orbital sector. The phase diagram is rich, goes beyond the single-site mean field theory due to spin-orbital entanglement. In addition to the antiferromagnetic (AF) and ferromagnetic (FM) phases, one finds also a plaquette valence-bond phase with singlets ordered either on horizontal or vertical bonds. More importantly, for increasing Hund's exchange we identify three phases with exotic magnetic order stabilized by orbital fluctuations in between the AF and FM order: (i) an AF phase with two mutually orthogonal antiferromagnets on two sublattices in each $ab$ plane and AF order along the c axis (ortho-$G$-type phase), (ii) a canted-$A$-type AF phase with a non-trivial canting angle between nearest neighbor FM layers along the c axis, and (iii) a striped-AF phase with anisotropic AF order in the $ab$ planes. We elucidate the mechanism responsible for each of the above phases by deriving effective spin models which involve second and third neighbor Heisenberg interactions as well as four-site spin interactions going beyond Heisenberg physics, and explain how the entangled nearest neighbor spin-orbital superexchange generates spin interactions between more distant spins.

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arXiv2012

Noncollinear Magnetic Order Stabilized by Entangled Spin-Orbital Fluctuations

Quantum phase transitions in the two-dimensional Kugel-Khomski model on a square lattice are studied using the plaquette mean field theory and the entanglement renormalization ansatz. When $3z^2-r^2$ orbitals are favored by the crystal field and Hund's exchange is finite, both methods give a noncollinear exotic magnetic order which consists of four sublattices with mutually orthogonal nearest neighbor and antiferromagnetic second neighbor spins. We derive effective frustrated spin model with second and third neighbor spin interactions which stabilize this phase and follow from spin-orbital quantum fluctuations involving spin singlets entangled with orbital excitations.

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arXiv2012

Optical conductivity due to orbital polarons in systems with orbital degeneracy

We consider the impact of orbital polarons in doped orbitally ordered systems on optical conductivity using the simplest generic model capturing the directional nature of either $t_{2g}$ (or $e_g$) orbital states in certain transition metal oxides, or $p$ orbital states of cold atoms in optical lattices. The origin of the optical transitions is analyzed in detail and we demonstrate that the optical spectra: (i) are determined by the string picture, i.e., flipped orbitals along the hole hopping path, and (ii) consist of three narrow peaks which stem from distinct excitations. They occur within the Mott-Hubbard gap similar to the superconducting cuprates but indicate hole confinement, in contrast to the spin t-J model. Finally, we point out how to use the point group symmetry to classify the optical transitions.

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arXiv2012

Fingerprints of spin-orbital entanglement in transition metal oxides

The concept of spin-orbital entanglement on superexchange bonds in transition metal oxides is introduced and explained on several examples. It is shown that spin-orbital entanglement in superexchange models destabilizes the long-range (spin and orbital) order and may lead either to a disordered spin-liquid state or to novel phases at low temperature which arise from strongly frustrated interactions. Such novel ground states cannot be described within the conventionally used mean field theory which separates spin and orbital degrees of freedom. Even in cases where the ground states are disentangled, spin-orbital entanglement occurs in excited states and may become crucial for a correct description of physical properties at finite temperature. As an important example of this behaviour we present spin-orbital entanglement in the $R$VO$_3$ perovskites, with $R$=La,Pr,...,Yb,Lu, where such finite temperature properties of these compounds can be understood only using entangled states: ($i$) thermal evolution of the optical spectral weights, ($ii$) the dependence of transition temperatures for the onset of orbital and magnetic order on the ionic radius in the phase diagram of the $R$VO$_3$ perovskites, and ($iii$) dimerization observed in the magnon spectra for the $C$-type antiferromagnetic phase of YVO$_3$. Finally, it is shown that joint spin-orbital excitations in an ordered phase with coexisting antiferromagnetic and alternating orbital order introduces topological constraints for the hole propagation and will thus radically modify transport properties in doped Mott insulators where hole motion implies simultaneous spin and orbital excitations.

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arXiv2012

Stripe Phases in Layered Nickelates

To describe quasi two-dimensional nickelates we introduce an effective Hamiltonian for $e_g$ electrons which includes the kinetic energy, on-site Coulomb interactions, spin-spin and Jahn-Teller (static) terms. The experimental stripe phases are correctly reproduced by the model. The mechanisms responsible for stripe formation are different than those reported in cuprates and manganites.

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arXiv2012

Entangled Spin-Orbital Phases in the d$^9$ Model

We investigate the phase diagrams of the spin-orbital $d^9$ Kugel-Khomskii model for a bilayer and a monolayer square lattice using Bethe-Peierls-Weiss method. For a bilayer we obtain valence bond phases with interlayer singlets, with alternating planar singlets, and two entangled spin-orbital (ESO) phases, in addition to the antiferromagnetic and ferromagnetic order. Possibility of such entangled phases in a monolayer is under investigation at present.

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