Orbital ordering transition in Ca2RuO4 observed with resonant X-ray diffraction

Resonant x-ray diffraction performed at the L(II) and L(III) absorption edges of Ru has been used to investigate the magnetic and orbital ordering in Ca2RuO4 single crystals. A large resonant enhancement due to electric dipole 2p-->4d transitions is observed at the wave-vector characteristic of antiferromagnetic ordering. Besides the previously known antiferromagnetic phase transition at T(N)=110 K, an additional phase transition, between two paramagnetic phases, is observed around 260 K. Based on the polarization and azimuthal angle dependence of the diffraction signal, this transition can be attributed to orbital ordering of the Ru t(2g) electrons. The propagation vector of the orbital order is inconsistent with some theoretical predictions for the orbital state of Ca2RuO4.     

Ferromagnetism induced by orbital order in the charge-transfer insulator Cs2AgF4: an electronic structure study

Cs2AgF4 was proposed to be an orbitally ordered ferromagnet based on recent neutron scattering data. Here, we report a detailed electronic structure study within the local spin density approximation also including strong Coulomb repulsion U. We investigate the influence of an orthorhombic distortion of the Ag environment and the importance of the on-site Coulomb repulsion. We find good quantitative agreement with both the experimentally observed exchange coupling and structural changes. Thus, our results strongly support that Cs2AgF4 is a strongly correlated charge-transfer insulator where the ferromagnetism is driven by orbital order.     

Stripes induced by orbital ordering in layered manganites

Spin-charge-orbital ordered structures in doped layered manganites are investigated using an orbital-degenerate double-exchange model tightly coupled to Jahn-Teller distortions. In the ferromagnetic phase, unexpected diagonal stripes at x = 1/m ( m = integer) are observed, as in recent experiments. These stripes are induced by the orbital degree of freedom, which forms a staggered pattern in the background. A pi shift in the orbital order across stripes is identified, analogous to the pi shift in spin order across stripes in cuprates. At x = 1/4 and 1/3, another nonmagnetic phase with diagonal static charge stripes is stabilized at intermediate values of the t(2g)-spins exchange coupling.     

Vortex structure in Sr2RuO4

The vortex structure in p-wave superconductors is investigated by the Bogoliubov–de Gennes theory on a tight-binding model. We calculate the temperature dependence of the electronic state at each site in the vortex lattice state, and show the difference between sin p_x+i sin p_y-wave and sin p_x−i sin p_y-wave superconducting state. Furthermore the relation of the electronic structure and the site-dependence of the nuclear magnetic relaxation time is also discussed.     

Dopant-induced nanoscale electronic inhomogeneities in Ca(2-x)Sr(x)RuO4

Ca(2-x)Sr(x)RuO4 single crystals with 0.1 < or = x < or = 2.0 have been studied systematically using scanning tunneling microscopy (STM) and spectroscopy, low-energy electron diffraction, and angle resolved photoelectron spectroscopy (ARPES). In contrast with the well-ordered lattice structure, the local density of states at the surface clearly shows a strong doping dependent nanoscale electronic inhomogeneity, regardless of the fact of isovalent substitution. Remarkably, the surface electronic roughness measured by STM and the inverse spectral weight of quasiparticle states determined by ARPES are found to vary with x in the same manner as the bulk in-plane residual resistivity, following the Nordheim rule. For the first time, the surface measurements--especially those with STM--are shown to be in good agreement with the bulk transport results, all clearly indicating a doping-induced electronic disorder in the system.     

Magnetic and orbital ordering in the spinel MnV2O4

Neutron inelastic scattering and diffraction techniques have been used to study the MnV2O4 spinel system. Our measurements show the existence of two transitions to long-range ordered ferrimagnetic states, the first collinear and the second noncollinear. The lower temperature transition, characterized by development of antiferromagnetic components in the basal plane, is accompanied by a tetragonal distortion and the appearance of a gap in the magnetic excitation spectrum. The low-temperature noncollinear magnetic structure has been definitively resolved. Taken together, the crystal and magnetic structures indicate a staggered ordering of the V d orbitals. The anisotropy gap is a consequence of unquenched V orbital angular momentum.     

Charge ordering of LuFe2O4 electronic multiferroic

Charge ordering of iron ions in LuFe2O4 frustrated electronic ferroelectric with variable valence is considered. Charge degrees of freedom are described in frameworks of Ising model with Coulomb interaction between sites. Mean field approximation is used to find free energies of the most probable structures. Phase diagrams of a single triangular bilayer and a system of triangular bilayers are plotted. A partially disordered dimer structure is proposed as a 2D high temperature phase. The transition from 2D to 3D ordering associated with a drop in temperature and the formation of spontaneous dipole moments is discussed.     

Orbital-selective Mott-insulator transition in Ca 2 - x Sr x RuO 4

The electronic structures of the metallic and insulating phases of the alloy series Ca_2-xSr_xRuO₄ ( 0 ? x ? 2) are calculated using LDA, LDA+U and Dynamical Mean-Field Approximation methods. In the end members the groundstate respectively is an orbitally non-degenerate antiferromagnetic insulator (x = 0) and a good metal (x = 2). For x > 0.5 the observed Curie-Weiss paramagnetic metallic state which possesses a local moment with the unexpected spin S = 1/2, is explained by the coexistence of localized and itinerant Ru-4d-orbitals. For 0.2 < x < 0.5 we propose a state with partial orbital and spin ordering. An effective model for the localized orbital and spin degrees of freedom is discussed. The metal-insulator transition at x = 0.2 is attributed to a switch in the orbital occupation associated with a structural change of the crystal. Received 27 July 2001     

Novel orbital ordering induced by anisotropic stress in a manganite thin film

A novel structure of orbital ordering is found in a Nd0.5Sr0.5MnO3 thin film, which exhibits a clear first-order transition, by synchrotron x-ray diffraction measurements. Lattice parameters vary drastically at the metal-insulator transition at 170 K (= T(MI)), and superlattice reflections appear below 140 K (= T(CO)). The electronic structure between T(MI) and T(CO) is identified as A-type antiferromagnetic with a d(x2-y2) ferro-orbital ordering. The new type of antiferro-orbital ordering characterized by the wave vector (1/4 1/4 1/2) in cubic notation emerges below T(CO). The accommodation of the large lattice distortion at the first-order phase transition and the appearance of the novel orbital ordering are brought about by the anisotropy in the substrate, a new parameter for the phase control.     

Ferroelastic phase transitions induced by the orbital and rotation ordering in perovskites

The phases formed in cubic crystals upon ferrodistortion and antiferrodistortion orientational ordering of anion polyhedra distorted as a result of the Jahn-Teller effect are established in terms of the statistical model in the mean-field approximation. For the four-sublattice three-minimum model, there are four types of ordered phases, and one of them is the intrinsic ferroelastic (ferrodistortion) phase. The conditions providing the appearance of ordering of a particular type are determined. The effect of orbital ordering on the rotational structural distortions is discussed. The conditions of the formation of ordered phases (D _4h ⁵ , D _4h ¹⁸ ) that are most frequently encountered in perovskites are found within the eight-sublattice three-minimum model. It turns out that, under certain conditions, these phases can coexist in the same crystal and transform into each other. The variants of their mutual transformations are considered.     

Sr2RuO4的电子相干态: Nernst效应研究

文章首次报道了自旋三重态奇异配对超导体Sr2RuO4的Nernst效应在正常态呈现出的反常行为.在T<100K时,较大的负的Nernst信号出现,其绝对值随温度降低而增大,并在T* ≈ 20-25K时出现一个负的最大值,之后随温度线性减小.这样大的Nernst信号是与正常态的多带性质相关,而非线性的磁场关系则可能与其中的磁涨落相关.文章作者提出在T*温度以下,在电子型的γ带上出现了能带关联的相干态,准粒子的散射受到了抑制,使得在T*温度以下Nernst信号快速减弱.同时,热电势在T*附近出现了拐点,Hall系数开始发散,进一步支持了文章作者提出的观点.     

Orbital ordering and spin-ladder formation in La2RuO5

The semiconductor-semiconductor transition of La2RuO5 is studied by means of augmented spherical wave electronic structure calculations as based on density-functional theory and the local density approximation. This transition has lately been reported to lead to orbital ordering and a quenching of the local spin magnetic moment. Our results hint towards an orbital ordering scenario which, markedly different from the previously proposed scheme, preserves the local S=1 moment at the Ru sites in the low-temperature phase. The unusual magnetic behavior is interpreted by the formation of spin ladders, which result from the structural changes occurring at the transition and are characterized by antiferromagnetic coupling along the rungs.     

r2RuO4的电子相干态: Nernst效应研究

文章首次报道了自旋三重态奇异配对超导体Sr2RuO4的Nernst效应在正常态呈现出的反常行为.在T&amp;amp;amp;amp;lt;100K时,较大的负的Nernst信号出现,其绝对值随温度降低而增大,并在T* ≈ 20—25K时出现一个负的最大值,之后随温度线性减小.这样大的Nernst信号是与正常态的多带性质相关,而非线性的磁场关系则可能与其中的磁涨落相关.文章作者提出在T*温度以下,在电子型的γ带上出现了能带关联的相干态,准粒子的散射受到了抑制,使得在T*温度以下Nernst信号快速减弱.同时,热电势在T*附近出现了拐点,Hal     

Successive orbital ordering transitions in NaVO2

Physical property measurements on samples of triangular-lattice NaVO2 reveal two successive orbital ordering transitions. At 300 K, the structure is rhombohedral. At 98 K, the system undergoes a second-order transition to a monoclinic phase in which the in-plane V-V distances separate into four short and two long bonds, corresponding to orbital ordering of one electron per V3+. Below 93 K, there is a first-order transition to a second monoclinic phase with four long and two short V-V bonds, consistent with orbital ordering of two electrons per V3+. Long range magnetic ordering of 0.98(2)mu_(B) per V3+ (3d(2)) sets in at the 93 K structural transition. The orbital ordering relieves the geometric frustration and leads to a magnetically ordered ground state.     

Electron and orbital correlations in Ca2-xSrxRuO4 probed by optical spectroscopy

The optical conductivity spectra of the quasi-two-dimensional Ca2-xSrxRuO4 (0.0< or =x< or =2.0) system were investigated. In the Mott insulating state, two electron correlation-induced peaks were observed about 1.0 and 1.9 eV, which could be explained using the 3-orbital Hubbard model. The low frequency peak showed a shift toward higher frequency as temperature was lowered, indicating that electron-phonon interactions play an important role in the orbital arrangements. From the systematic analysis, it was suggested that the antiferro-orbital and the ferro-orbital ordering states could coexist.     

Superconducting gap structure of spin-triplet superconductor Sr2RuO4 studied by thermal conductivity

To clarify the superconducting gap structure of the spin-triplet superconductor Sr2RuO4, the in-plane thermal conductivity has been measured as a function of relative orientations of the thermal flow, the crystal axes, and a magnetic field rotating within the 2D RuO2 planes. The in-plane variation of the thermal conductivity is incompatible with any model with line nodes vertical to the 2D planes and indicates the existence of horizontal nodes. These results place strong constraints on models that attempt to explain the mechanism of the triplet superconductivity.     

Spin-orbit coupling in the Mott insulator Ca(2)RuO(4)

O 1s x-ray absorption study of the Mott insulator Ca(2)RuO(4) shows that the orbital population of the 4d t(2g) band dramatically changes with temperature. In addition, spin-resolved circularly polarized photoemission study of Ca(2)RuO(4) shows that a substantial orbital angular momentum is induced in the Ru 4d t(2g) band. Based on the experimental results and model Hartree-Fock calculations, we argue that the cooperation between the strong spin-orbit coupling in the Ru 4d t(2g) band and the small distortion of the RuO(6) octahedra causes the interesting changeover of the spin and orbital anisotropy as a function of temperature.     

Change in oxygen concentration in Sr2RuO4 single crystals after laser processing

In order to check the possibility of realization of high-temperature superconductivity in strontium ruthenate, we studied experimentally the influence of laser radiation on single-crystal samples of Sr₂RuO₄. Results obtained by the technique of electron-probe X-ray microanalysis showed an enhancement of the oxygen concentration in the near-surface layer of samples, which may most probably be caused by the change in the ruthenium valence as a result of laser treatment.     

Quasi-one-dimensional magnetism driven by unusual orbital ordering in CuSb2O6

Essentially all undoped cuprates exhibit a quasiplanar, fourfold Cu-O coordination responsible for the magnetically active antibonding 3d(x(2)-y(2)) like state. Here, we present an electronic structure study for CuSb(2)O(6) that reveals, in contrast, a half-filled 3d(3z(2)-r(2)) orbital. This hitherto unobserved ground state originates from a competition of in- and out-of-plaquette orbitals where the strong Coulomb repulsion drives the surprising and unique orbital ordering. This, in turn, gives rise to an unexpected quasi-one-dimensional magnetic behavior. Our results provide a consistent explanation of recent thermodynamical and neutron diffraction measurements.     

Neutron diffraction study of the magnetic structure of Na2 RuO 4

We present a novel model to simulate real social networks of complex interactions, based in a system of colliding particles (agents). The network is build by keeping track of the collisions and evolves in time with correlations which emerge due to the mobility of the agents. Therefore, statistical features are a consequence only of local collisions among its individual agents. Agent dynamics is realized by an event-driven algorithm of collisions where energy is gained as opposed to physical systems which have dissipation. The model reproduces empirical data from networks of sexual interactions, not previously obtained with other approaches.