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The topological classification of electronic band structures is based on symmetry properties of Bloch eigenstates of single-particle Hamiltonians. In parallel, topological field theory has opened the doors to the formulation and characterization of non-trivial phases of matter driven by strong electron-electron interaction. Even though important examples of topological Mott insulators have been constructed, the relevance of the underlying non-interacting band topology to the physics of the Mott phase has remained unexplored. Here, we show that the momentum structure of the Green’s function zeros defining the “Luttinger surface\" provides a topological characterization of the Mott phase related, in the simplest description, to the one of the single-particle electronic dispersion. Considerations on the zeros lead to the prediction of new phenomena: a topological Mott insulator with an inverted gap for the bulk zeros must possess gapless zeros at the boundary, which behave as a form of “topological antimatter” annihilating conventional edge states. Placing band and Mott topological insulators in contact produces distinctive observable signatures at the interface, revealing the otherwise spectroscopically elusive Green’s function zeros. Topological classification of interacting electronic states has emerged as an important topic recently. Wagner at al. show that the momentum structure of the zeros of the electron Green’s function can be used to identify a topological Mott insulator phase, similarly to the single-particle dispersion.

The unconventional superconductor Sr 2 RuO 4 has long served as a benchmark for theories of correlated-electron materials. The determination of the superconducting pairing mechanism requires detailed experimental information on collective bosonic excitations as potential mediators of Cooper pairing. We have used Ru L 3 -edge resonant inelastic x-ray scattering to obtain comprehensive maps of the electronic excitations of Sr 2 RuO 4 over the entire Brillouin zone. We observe multiple branches of dispersive spin and orbital excitations associated with distinctly different energy scales. The spin and orbital dynamical response functions calculated within the dynamical mean-field theory are in excellent agreement with the experimental data. Our results highlight the Hund metal nature of Sr 2 RuO 4 and provide key information for the understanding of its unconventional superconductivity. The authors present resonant inelastic x-ray scattering measurements of Sr 2 RuO 4 in the normal Fermi-liquid state. They find that spin excitations are confined below 200 meV, while orbital fluctuations appear only at higher energies. This separation of energy scales is a hallmark of Hund’s-rule-induced electron correlations.

Current theoretical studies of electronic correlations in transition metal oxides typically only account for the local repulsion between d-electrons even if oxygen ligand p-states are an explicit part of the effective Hamiltonian. Interatomic interactions such as \\({{U}_{pd}}\\) between d- and (ligand) p-electrons, as well as the local interaction between p-electrons, are neglected. Often, the relative d–p orbital splitting has to be adjusted ‘ad hoc’ on the basis of the experimental evidence. By applying the merger of local density approximation and dynamical mean field theory to the prototypical case of the three-band Emery dp model for the cuprates, we demonstrate that, without any ‘ad hoc’ adjustment of the orbital splitting, the charge transfer insulating state is stabilized by the interatomic interaction \\({{U}_{pd}}\\). Our study hence shows how to improve realistic material calculations that explicitly include the p-orbitals.

Magnetic ordering phenomena have a profound influence on the macroscopic properties of correlated-electron materials, but their realistic prediction remains a formidable challenge. An archetypical example is the ternary nickel oxide system RNiO3 (R = rare earth), where the period-four magnetic order with proposals of collinear and non-collinear structures and the amplitude of magnetic moments on different Ni sublattices have been subjects of debate for decades1–6. Here we introduce an elementary model system—NdNiO3 slabs embedded in a non-magnetic NdGaO3 matrix—and use polarized resonant X-ray scattering (RXS) to show that both collinear and non-collinear magnetic structures can be realized, depending on the slab thickness. The crossover between both spin structures is correctly predicted by density functional theory and can be qualitatively understood in a low-energy spin model. We further demonstrate that the amplitude ratio of magnetic moments in neighbouring NiO6 octahedra can be accurately determined by RXS in combination with a correlated double cluster model. Targeted synthesis of model systems with controlled thickness and synergistic application of polarized RXS and ab initio theory thus provide new perspectives for research on complex magnetism, in analogy to two-dimensional materials created by exfoliation7.

The Mott insulator Ca 2 RuO 4 exhibits an insulator-to-metal transition induced by d.c. current. Despite the thorough examination of the structural changes associated with this transition, a comprehensive knowledge of the response of electronic degrees of freedom is still lacking. Here we demonstrate current-induced modifications of the electronic states of Ca 2 RuO 4 . Angle-resolved photoemission spectroscopy in conjunction with four-probe electrical transport (transport-ARPES) measurements reveal a clear reduction of the Mott gap and a modification in the dispersion of the Ru bands. Based on a free-energy analysis, we show that the current-induced phase is electronically distinct from the high-temperature zero-current metallic phase. Our results highlight strong interplay of lattice- and orbital-dependent electronic responses in the current-driven insulator-to-metal transition. Ca 2 RuO 4 is a Mott insulator that becomes a metal when a current is passed through it. Now, the changes in its electronic structure are revealed as this transition takes place.

Current theoretical studies of electronic correlations in transition metal oxides typically only account for the local repulsion between d-electrons even if oxygen ligand p-states are an explicit part of the effective Hamiltonian. Interatomic interactions such as between d- and (ligand) p-electrons, as well as the local interaction between p-electrons, are neglected. Often, the relative d-p orbital splitting has to be adjusted 'ad hoc' on the basis of the experimental evidence. By applying the merger of local density approximation and dynamical mean field theory to the prototypical case of the three-band Emery dp model for the cuprates, we demonstrate that, without any 'ad hoc' adjustment of the orbital splitting, the charge transfer insulating state is stabilized by the interatomic interaction . Our study hence shows how to improve realistic material calculations that explicitly include the p-orbitals.

V 2 O 3 is the prototype system for the Mott transition, one of the most fundamental phenomena of electronic correlation. Temperature, doping or pressure induce a metal-to-insulator transition (MIT) between a paramagnetic metal (PM) and a paramagnetic insulator. This or related MITs have a high technological potential, among others, for intelligent windows and field effect transistors. However the spatial scale on which such transitions develop is not known in spite of their importance for research and applications. Here we unveil for the first time the MIT in Cr-doped V 2 O 3 with submicron lateral resolution: with decreasing temperature, microscopic domains become metallic and coexist with an insulating background. This explains why the associated PM phase is actually a poor metal. The phase separation can be associated with a thermodynamic instability near the transition. This instability is reduced by pressure, that promotes a genuine Mott transition to an eventually homogeneous metallic state. The spatial scale over which metal–insulator transitions happen is not known, despite the importance of this phenomenon in basic and applied research. The authors show that in chromium-doped V 2 O 3 , with decreasing temperature, microscopic metallic domains coexist with an insulating background.

The result of a physical measurement depends on the time scale of the experimental probe. In solid-state systems, this simple quantum mechanical principle has far-reaching consequences: the interplay of several degrees of freedom close to charge, spin or orbital instabilities combined with the disparity of the time scales associated to their fluctuations can lead to seemingly contradictory experimental findings. A particularly striking example is provided by systems of adatoms adsorbed on semiconductor surfaces where different experiments – angle-resolved photoemission, scanning tunneling microscopy and core-level spectroscopy – suggest different ordering phenomena. Using most recent first principles many-body techniques, we resolve this puzzle by invoking the time scales of fluctuations when approaching the different instabilities. These findings suggest a re-interpretation of ordering phenomena and their fluctuations in a wide class of solid-state systems ranging from organic materials to high-temperature superconducting cuprates.

We have successfully grown centimeter-sized layered R SrNiO 4 single crystals under high oxygen pressures of 120–150 bar by the floating zone technique. This enabled us to perform neutron scattering experiments where we observe close to quarter-integer magnetic peaks below ∼ 77 K that are accompanied by steep upwards dispersing spin excitations. Within the high-frequency Ni–O bond stretching phonon dispersion, a softening at the propagation vector for a checkerboard modulation can be observed. We were able to simulate the magnetic excitation spectra using a model that includes two essential ingredients, namely checkerboard charge disproportionation and nano phase separation. The results thus suggest that charge disproportionation is preferred instead of a Jahn–Teller distortion even for this layered Ni 3 + system.

Nature Communications 1, Article number: 105 (2010); published: 02 November 2010; updated: 17 January 2012. In Figure 2 of this Article, panel labels c and d were inadvertently switched. A typographical error was also introduced in the last sentence of the legend, which should have read 'The scale bar in panel c represents 10 μm'.