D. I. Khomskii

University of Cologne, Köln, North Rhine-Westphalia, Germany

Are you D. I. Khomskii?

Claim your profile

Publications (253)853.09 Total impact

  • Source
    D. I. Khomskii · K. I. Kugel · A. O. Sboychakov · S. V. Streltsov
    [Show abstract] [Hide abstract]
    ABSTRACT: We analyze the role of local geometry in the spin and orbital interaction in transition metal compounds with orbital degeneracy. We stress that the tendency observed for the most studied case (transition metals in O$_6$ octahedra with one common oxygen -- common corner of neighboring octahedra and with $\sim 180^{\circ}$ metal--oxygen--metal bonds), that ferro-orbital ordering renders antiferro-spin coupling, and, {\it vice versa}, antiferro-orbitals give ferro-spin ordering, is not valid in general case, in particular for octahedra with common edge and with $\sim 90^{\circ}$ M--O--M bonds. Special attention is paid to the ``third case'', neighboring octahedra with common face (three common oxygens) -- the case practically not considered until now, although there are many real systems with this geometry. Interestingly enough, the spin--orbital exchange in this case turns out to be to be simpler and more symmetric than in the first two cases. We also consider, which form the effective exchange takes for different geometries in case of strong spin--orbit coupling.
    Full-text · Article · Oct 2015
  • Source
    [Show abstract] [Hide abstract]
    ABSTRACT: The magnon disp ersion in Ca2RuO4 has been determined by inelastic neutron scattering on single crytals containing 1% of Ti. The dispersion is well described by a conventional Heisenberg model suggesting a local moment model with nearest neighbor interaction of J=8 meV. Nearest and next-nearest neighbor interaction as well as inter-layer coupling parameters are required to properly describe the entire dispersion. Spin-orbit coupling induces a very large anisotropy gap in the magnetic excitations in apparent contrast with a simple planar magnetic model. Orbital ordering breaking tetragonal symmetry, and strong spin-orbit coupling can thus be identified as important factors in this system.
    Preview · Article · Sep 2015 · Physical Review Letters
  • Source

    Full-text · Dataset · Jul 2015
  • Source
    Maciej Koch-Janusz · D I Khomskii · Eran Sela
    [Show abstract] [Hide abstract]
    ABSTRACT: The two-dimensional Affleck-Kennedy-Lieb-Tasaki (AKLT) model on a honeycomb lattice has been shown to be a universal resource for quantum computation. In this valence bond solid, however, the spin interactions involve higher powers of the Heisenberg coupling (S[over →]_{i}·S[over →]_{j})^{n}, making these states seemingly unrealistic on bipartite lattices, where one expects a simple antiferromagnetic order. We show that those interactions can be generated by orbital physics in multiorbital Mott insulators. We focus on t_{2g} electrons on the honeycomb lattice and propose a physical realization of the spin-3/2 AKLT state. We find a phase transition from the AKLT to the Néel state on increasing Hund's rule coupling, which is confirmed by density matrix renormalization group simulations. An experimental signature of the AKLT state consists of protected, free S=1/2 spins on lattice vacancies, which may be detected in the spin susceptibility.
    Full-text · Article · Jun 2015 · Physical Review Letters
  • Source
    [Show abstract] [Hide abstract]
    ABSTRACT: The perovskite antiferromagnetic ($T_{\rm N}$ $\sim$ 220 K) insulator EuNiO$_3$ undergoes at ambient pressure a metal-to-insulator transition at $T_{\rm MI}$ = 460 K which is associated with a simultaneous orthorhombic-to-monoclinic distortion, leading to charge disproportionation. We have investigated the change of the structural and magnetic properties of EuNiO$_3$ with pressure (up to $\sim$ 20 GPa) across its quantum critical point (QCP) using low-temperature synchrotron angle-resolved x-ray diffraction and $^{151}$Eu nuclear forward scattering of synchrotron radiation, respectively. With increasing pressure we find that after a small increase of $T_{\rm N}$ ($p$ $\leq$ 2 GPa) and the induced magnetic hyperfine field $B_{\rm hf}$ at the $^{151}$Eu nucleus ($p$ $\leq$ 9.7 GPa), both $T_{\rm N}$ and $B_{\rm hf}$ are strongly reduced and finally disappear at $p_{\rm c}$ $\cong$ 10.5 GPa, indicating a magnetic QCP at $p_{\rm c}$. The analysis of the structural parameters up to 10.5 GPa reveals no change of the lattice symmetry within the experimental resolution. Since the pressure-induced insulator-to-metal transition occurs at $p_{\rm IM}$ $\cong$ 6 GPa, this result implies the existence of an antiferromagnetic metallic state between 6 and 10.5 GPa. We further show from the analysis of the reported high pressure electrical resistance data on EuNiO$_3$ at low-temperatures that in the vicinity of the QCP the system behaves as non-Fermi-liquid, with the resistance changing as $T^{\rm n}$, with n=1.6, whereas it becomes a normal Fermi-liquid, n = 2, for pressures above $\sim$15 GPa. On the basis of the obtained data a magnetic phase diagram in the ($p$, $T$) space is suggested.
    Full-text · Article · May 2015 · Physical Review B
  • Source
    [Show abstract] [Hide abstract]
    ABSTRACT: We have synthesized and studied single-crystal Ba5AlIr2O11 that features dimer chains of two inequivalent octahedra occupied by tetravalent and pentavalent ions, respectively. Ba5AlIr2O11 is a Mott insulator that undergoes a subtle structural phase transition near 210 K and a magnetic transition at 4.5 K; the latter transition is surprisingly resistant to applied magnetic fields up to 12 T, but sensitive to modest applied pressure. All results indicate that the phase transition at 210 K signals an enhanced charge order that induces electrical dipoles and strong dielectric response near 210 K. It is clear that the strong covalency and spin-orbit interaction (SOI) suppress double exchange in Ir dimers and stabilize a novel magnetic state. The novel behavior of Ba5AlIr2O11 therefore provides unique insights into the physics of SOI along with strong covalency in competition with double exchange interactions of comparable strength.
    Full-text · Article · May 2015 · Physical Review B
  • Source
    [Show abstract] [Hide abstract]
    ABSTRACT: We demonstrate that in strongly correlated systems with noniteger electron occupation there is a competition between the conventional double exchange, leading to ferromagnetism, and the tendency for electrons with strongly overlapping orbitals and large intersite hopping to form a nonmagnetic singlet molecular orbital on a dimer. This tendency is enhanced by the strong spin-orbit coupling. We show that this happens in our newly synthesized single-crystal Ba5AlIr2O11 containing dimers with Ir ions having mixed valence Ir4.5+. Single-crystal Ba5AlIr2O11 demonstrates that the magnetic moment of a dimer is indeed considerably reduced, to 1.04 mB. Furthermore, according to our structural, transport, magnetic and specific heat measurements, it undergoes an intra-dimer charge ordering below TS = 210 K and an antiferromagnetic transition at TM = 4.5 K, despite its one-dimensional character. Ab initio calculations correctly capture the properties of this system and confirm that molecular orbital formation in combination with spin-orbit coupling counteracts, and in this case suppresses double exchange. We argue that this effect could be observed in many other, predominantly 4d and 5d systems with large electron hopping and small Hunds rule coupling.
    Full-text · Article · May 2015
  • Source
    [Show abstract] [Hide abstract]
    ABSTRACT: We report on combined neutron and resonant x-ray scattering results, identifying the nature of the spin-orbital ground state and magnetic excitations in LuVO3 as driven by the orbital parameter. In particular, we distinguish between models based on orbital Peierls dimerization, taken as a signature of quantum effects in orbitals, and Jahn-Teller distortions, in favor of the latter. In order to solve this long-standing puzzle, polarized neutron beams were employed as a prerequisite in order to solve details of the magnetic structure, which allowed quantitative intensity-analysis of extended magnetic excitation data sets. The results of this detailed study enabled us to draw definite conclusions about classical vs quantum behavior of orbitals in this system and to discard the previous claims about quantum effects dominating the orbital physics of LuVO3 and similar systems.
    Full-text · Article · Mar 2015 · Physical Review B
  • Source
    Maciej Koch-Janusz · D. I. Khomskii · Eran Sela
    [Show abstract] [Hide abstract]
    ABSTRACT: Two-dimensional AKLT model on a honeycomb lattice has been shown to be a universal resource for quantum computation. In this valence bond solid, however, the spin interactions involve higher powers of the Heisenberg coupling $(\vec{S}_i \cdot \vec{S}_j)^n$, making these states seemingly unrealistic on bipartite lattices, where one expects a simple antiferromagnetic order. We show that those interactions can be generated by orbital physics in multiorbital Mott insulators. We focus on $t_{2g}$ electrons on the honeycomb lattice and propose a physical realization of the spin-$3/2$ AKLT state. We find a phase transition from the AKLT to the Neel state on increasing Hund's rule coupling, which is confirmed by density matrix renormalization group (DMRG) simulations. An experimental signature of the AKLT state consists of protected, free spins-1/2 on lattice vacancies, which may be detected in the spin susceptibility.
    Full-text · Article · Jan 2015
  • Source
    K. I. Kugel · D. I. Khomskii · A. O. Sboychakov · S. V. Streltsov
    [Show abstract] [Hide abstract]
    ABSTRACT: Specific features of orbital and spin structure of transition metal compounds in the case of the face-sharing MO$_6$ octahedra are analyzed. In this geometry, we consider the form of the spin--orbital Hamiltonian for transition metal ions with double ($e_g^{\sigma}$) or triple ($t_{2g}$) orbital degeneracy. Trigonal distortions typical of the structures with face-sharing octahedra lead to splitting of $t_{2g}$ orbitals into an $a_{1g}$ singlet and $e_g^{\pi}$ doublet. For both doublets ($e_g^{\sigma}$ and $e_g^{\pi}$), in the case of one electron or hole per site, we arrive at a symmetric model with the orbital and spin interaction of the Heisenberg type and the Hamiltonian of unexpectedly high symmetry: SU(4). Thus, many real materials with this geometry can serve as a testing ground for checking the prediction of this interesting theoretical model. We also compare general trends in spin--orbital ("Kugel--Khomskii") exchange interaction for three typical situations: those of MO$_6$ octahedra with common corner, common edge, and the present case of common face.
    Full-text · Article · Nov 2014 · Physical Review B
  • Source
    [Show abstract] [Hide abstract]
    ABSTRACT: We synthesize and study single crystals of the layered honeycomb lattice Mott insulators Na2RuO3 and Li2RuO3 with magnetic Ru4+(4d4) ions. The newly found Na2RuO3 features a nearly ideal honeycomb lattice and orders antiferromagnetically at 30 K. Single-crystals of Li2RuO3 adopt a honeycomb lattice with either C2/m or more distorted P21/m below 300 K, depending on detailed synthesis conditions. We find that Li2RuO3 in both structures hosts a well-defined magnetic state, in contrast to the singlet ground state found in polycrystalline Li2RuO3. A phase diagram generated based on our results uncovers a new, direct correlation between the magnetic ground state and basal-plane distortions in the honeycomb ruthenates.
    Full-text · Article · Oct 2014 · Physical Review B
  • D I Khomskii
    [Show abstract] [Hide abstract]
    ABSTRACT: The modelling of magnetic monopoles in solids is a hot topic nowadays. Here, I propose that in solids with the linear magnetoelectric effect there should exist, close to electric charges, magnetic textures of magnetic monopole type. Their existence can lead to rather striking consequences, such as (magneto)electric Hall effect, magnetophotovoltaic effect and so on, which can be observed experimentally. In addition, in ordinary magnetoelectric materials not only magnetic monopoles can accompany the charge, but also more complicated local magnetic objects can be created, for example, local toroics, which can also lead to unusual effects in transport and other properties of such systems.
    No preview · Article · Sep 2014 · Nature Communications
  • Source
    Ting Jia · Xiaoli Zhang · Ting Liu · Fengren Fan · Zhi Zeng · X. G. Li · D. I. Khomskii · Hua Wu
    [Show abstract] [Hide abstract]
    ABSTRACT: Normally $4d$ or $5d$ transition metals are in a low-spin state. Here using first-principles calculations, we report on a rare case of a high-spin $S$=1 magnetic state for the Ag$^{3+}$ ion in the double perovskite Cs$_{2}$KAgF$_{6}$. We also explored a possibility of a conventional low-spin $S$=0 ground state and find an associated tetragonal distortion to be 0.29 {\AA}. However, the lattice elastic energy cost and the Hund exchange loss exceed the e$_{g}$ crystal-field energy gain, thus making the low-spin tetragonal structure less favorable than the high-spin cubic structure. We conclude that the compact perovskite structure of Cs$_{2}$KAgF$_{6}$ is an important factor in stabilizing the unusual high-spin ground state of Ag$^{3+}$.
    Preview · Article · Jun 2014 · Physical Review B
  • Source
    Sergey V. Streltsov · Daniel I. Khomskii
    [Show abstract] [Hide abstract]
    ABSTRACT: With the use of the band structure calculations we demonstrate that previously reported [Nat. Materials {\bf 3}, 48 (2004)] experimental crystal and magnetic structures for NaMn$_7$O$_{12}$ are inconsistent with each other. The optimization of the crystal lattice allows us to predict a new crystal structure for the low temperature phase, which is qualitatively different from the one presented before. The AFM-CE type of the magnetic order stabilizes the structure with the elongated, not compressed Mn$^{3+}_B$O$_6$ octahedra, striking NaMn$_7$O$_{12}$ out of the list of the anomalous Jahn-Teller systems. The orbital correlations were shown to exist even in the cubic phase, while the charge order appears only in the low temperature distorted phase.
    Full-text · Article · May 2014 · Physical Review B
  • Source
    S. V. Streltsov · D. I. Khomskii
    [Show abstract] [Hide abstract]
    ABSTRACT: With the use of the band structure calculations we demonstrate that previously reported [Nat. Materials {\bf 3}, 48 (2004)] experimental crystal and magnetic structures for NaMn$_7$O$_{12}$ are inconsistent with each other. The optimization of the crystal lattice allows us to predict a new crystal structure for the low temperature phase, which is qualitatively different from the one presented before. The AFM-CE type of the magnetic order stabilizes the structure with the elongated, not compressed Mn$^{3+}_B$O$_6$ octahedra, striking NaMn$_7$O$_{12}$ out of the list of the anomalous Jahn-Teller systems. The orbital correlations were shown to exist even in the cubic phase, while the charge order appears only in the low temperature distorted phase.
    Full-text · Article · Apr 2014
  • Source
    Sergey V. Streltsov · Daniel I. Khomskii
    [Show abstract] [Hide abstract]
    ABSTRACT: We show that in transition metal compounds containing structural metal dimers there may exist in the presence of different orbitals a special state with partial formation of singlets by electrons on one orbital, while others are effectively decoupled and may give e.g. long-range magnetic order or stay paramagnetic. Similar situation can be realized in dimers spontaneously formed at structural phase transitions, which can be called orbital-selective Peierls transition. This can occur in case of strongly nonuniform hopping integrals for different orbitals and small intra-atomic Hund's rule coupling JH. Yet another consequence of this picture is that for odd number of electrons per dimer there exist competition between double exchange mechanism of ferromagnetism, and the formation of singlet dimer by electron on one orbital, with remaining electrons giving a net spin of a dimer. The first case is realized for strong Hund's rule coupling, typical for 3d compounds, whereas the second is more plausible for 4d-5d compounds. We discuss some implications of these phenomena, and consider examples of real systems, in which orbital-selective phase seems to be realized.
    Full-text · Article · Mar 2014 · Physical Review B
  • Source
    A. S. Botana · V. Pardo · D. Baldomir · A. V. Ushakov · D. I. Khomskii

    Full-text · Dataset · Feb 2014
  • Source

    Full-text · Dataset · Feb 2014
  • Source
    V Pardo · S Blanco-Canosa · F Rivadulla · D I Khomskii · D Baldomir · Hua Wu · J Rivas

    Full-text · Dataset · Feb 2014
  • Source
    [Show abstract] [Hide abstract]
    ABSTRACT: We study experimentally and theoretically the effect of Eu doping and partial oxygen isotope substitution on the transport and magnetic characteristics and spin-state transitions in (Pr1 - y Eu y )0.7Ca0.3CoO3 cobaltites. The Eu doping level y is chosen in the range of the phase diagram near the crossover between the ferromagnetic and spin-state transitions (0.10 < y < 0.20). We prepared a series of samples with different degrees of enrichment by the heavy oxygen isotope 18O, namely, with 90, 67, 43, 17, and 0% of 18O. Based on the measurements of the ac magnetic susceptibility χ( T) and electrical resistivity ρ( T), we analyze the evolution of the sample properties with a change of the Eu and 18O content. It is demonstrated that the effect of increasing the 18O content on the system is similar to that of increasing the Eu content. The band structure calculations of the energy gap between t 2 g and e g bands including the renormalization of this gap due to the electron-phonon interaction reveals the physical mechanisms underlying this similarity.
    Full-text · Article · Jan 2014 · Journal of Experimental and Theoretical Physics

Publication Stats

9k Citations
853.09 Total Impact Points

Institutions

  • 1992-2015
    • University of Cologne
      • II. Institute of Physics
      Köln, North Rhine-Westphalia, Germany
  • 1993-2012
    • University of Groningen
      • Materials Science Group
      Groningen, Groningen, Netherlands
  • 2005
    • Universiteit Twente
      • Department of Computational Materials Science (CMS)
      Enschede, Overijssel, Netherlands