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Orbital reconstruction in nonpolar tetravalent transition-metal oxide layers

2015, Bogdanov, Nikolay A., Katukuri, Vamshi M., Romhányi, Judit, Yushankhai, Viktor, Kataev, Vladislav, Büchner, Bernd, van den Brink, Jeroen, Hozoi, Liviu

A promising route to tailoring the electronic properties of quantum materials and devices rests on the idea of orbital engineering in multilayered oxide heterostructures. Here we show that the interplay of interlayer charge imbalance and ligand distortions provides a knob for tuning the sequence of electronic levels even in intrinsically stacked oxides. We resolve in this regard the d-level structure of layered Sr2IrO4 by electron spin resonance. While canonical ligand-field theory predicts g

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The vicinity of hyper-honeycomb β-Li2IrO3 to a three-dimensional Kitaev spin liquid state

2016, Katukuri, Vamshi M., Yadav, Ravi, Hozoi, Liviu, Nishimoto, Satoshi, van den Brink, Jeroen

Due to the combination of a substantial spin-orbit coupling and correlation effects, iridium oxides hold a prominent place in the search for novel quantum states of matter, including, e.g., Kitaev spin liquids and topological Weyl states. We establish the promise of the very recently synthesized hyper-honeycomb iridate β-Li2IrO3 in this regard. A detailed theoretical analysis reveals the presence of large ferromagnetic first-neighbor Kitaev interactions, while a second-neighbor antiferromagnetic Heisenberg exchange drives the ground state from ferro to zigzag order via a three-dimensional Kitaev spin liquid and an incommensurate phase. Experiment puts the system in the latter regime but the Kitaev spin liquid is very close and reachable by a slight modification of the ratio between the second- and first-neighbor couplings, for instance via strain.

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Interaction-induced singular Fermi surface in a high-temperature oxypnictide superconductor

2015, Charnukha, A., Thirupathaiah, S., Zabolotnyy, V.B., Büchner, B., Zhigadlo, N.D., Batlogg, B., Yaresko, A.N., Borisenko, S.V.

In the family of iron-based superconductors, LaFeAsO-type materials possess the simplest electronic structure due to their pronounced two-dimensionality. And yet they host superconductivity with the highest transition temperature Tc ≈ 55K. Early theoretical predictions of their electronic structure revealed multiple large circular portions of the Fermi surface with a very good geometrical overlap (nesting), believed to enhance the pairing interaction and thus superconductivity. The prevalence of such large circular features in the Fermi surface has since been associated with many other iron-based compounds and has grown to be generally accepted in the field. In this work we show that a prototypical compound of the 1111-type, SmFe0.92Co0.08AsO , is at odds with this description and possesses a distinctly different Fermi surface, which consists of two singular constructs formed by the edges of several bands, pulled to the Fermi level from the depths of the theoretically predicted band structure by strong electronic interactions. Such singularities dramatically affect the low-energy electronic properties of the material, including superconductivity. We further argue that occurrence of these singularities correlates with the maximum superconducting transition temperature attainable in each material class over the entire family of iron-based superconductors.

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Two distinct superconducting phases in LiFeAs

2016, Nag, P.K., Schlegel, R., Baumann, D., Grafe, H.-J., Beck, R., Wurmehl, S., Büchner, B., Hess, C.

A non-trivial temperature evolution of superconductivity including a temperature-induced phase transition between two superconducting phases or even a time-reversal symmetry breaking order parameter is in principle expected in multiband superconductors such as iron-pnictides. Here we present scanning tunnelling spectroscopy data of LiFeAs which reveal two distinct superconducting phases: at = 18 K a partial superconducting gap opens, evidenced by subtle, yet clear features in the tunnelling spectra, i.e. particle-hole symmetric coherence peak and dip-hump structures. At Tc = 16 K, these features substantiate dramatically and become characteristic of full superconductivity. Remarkably, the distance between the dip-hump structures and the coherence peaks remains practically constant in the whole temperature regimeT ≤ . This rules out the connection of the dip-hump structures to an antiferromagnetic spin resonance.

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Multiple Dirac cones at the surface of the topological metal LaBi

2017, Nayak, Jayita, Martinsson, Bengt G., Kumar, Nitesh, Shekhar, Chandra, Singh, Sanjay, Fink, Jörg, Rienks, Emile E.D., Fecher, Gerhard H., Parkin, Stuart S.P., Yan, Binghai, Felser, Claudia

The rare-earth monopnictide LaBi exhibits exotic magneto-transport properties, including an extremely large and anisotropic magnetoresistance. Experimental evidence for topological surface states is still missing although band inversions have been postulated to induce a topological phase in LaBi. In this work, we have revealed the existence of surface states of LaBi through the observation of three Dirac cones: two coexist at the corners and one appears at the centre of the Brillouin zone, by employing angle-resolved photoemission spectroscopy in conjunction with ab initio calculations. The odd number of surface Dirac cones is a direct consequence of the odd number of band inversions in the bulk band structure, thereby proving that LaBi is a topological, compensated semimetal, which is equivalent to a time-reversal invariant topological insulator. Our findings provide insight into the topological surface states of LaBi’s semi-metallicity and related magneto-transport properties.

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Effect of nematic ordering on electronic structure of FeSe

2016, Fedorov, A., Yaresko, A., Kim, T.K., Kushnirenko, Y., Haubold, E., Wolf, T., Hoesch, M., Grüneis, A., Büchner, B., Borisenko, S.V.

Electronically driven nematic order is often considered as an essential ingredient of high-temperature superconductivity. Its elusive nature in iron-based superconductors resulted in a controversy not only as regards its origin but also as to the degree of its influence on the electronic structure even in the simplest representative material FeSe. Here we utilized angle-resolved photoemission spectroscopy and density functional theory calculations to study the influence of the nematic order on the electronic structure of FeSe and determine its exact energy and momentum scales. Our results strongly suggest that the nematicity in FeSe is electronically driven, we resolve the recent controversy and provide the necessary quantitative experimental basis for a successful theory of superconductivity in iron-based materials which takes into account both, spin-orbit interaction and electronic nematicity.

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Distinct itinerant spin-density waves and local-moment antiferromagnetism in an intermetallic ErPd2 Si2 single crystal

2015, Li, Hai-Feng, Cao, Chongde, Wildes, Andrew, Schmidt, Wolfgang, Schmalzl, Karin, Hou, Binyang, Regnault, Louis-Pierre, Zhang, Cong, Meuffels, Paul, Löser, Wolfgang, Roth, Georg

Identifying the nature of magnetism, itinerant or localized, remains a major challenge in condensed-matter science. Purely localized moments appear only in magnetic insulators, whereas itinerant moments more or less co-exist with localized moments in metallic compounds such as the doped-cuprate or the iron-based superconductors, hampering a thorough understanding of the role of magnetism in phenomena like superconductivity or magnetoresistance. Here we distinguish two antiferromagnetic modulations with respective propagation wave vectors at Q± = (H ± 0.557(1), 0, L ± 0.150(1)) and QC = (H ± 0.564(1), 0, L), where (H, L) are allowed Miller indices, in an ErPd2Si2 single crystal by neutron scattering and establish their respective temperature- and field-dependent phase diagrams. The modulations can co-exist but also compete depending on temperature or applied field strength. They couple differently with the underlying lattice albeit with associated moments in a common direction. The Q± modulation may be attributed to localized 4f moments while the QC correlates well with itinerant conduction bands, supported by our transport studies. Hence, ErPd2Si2 represents a new model compound that displays clearly-separated itinerant and localized moments, substantiating early theoretical predictions and providing a unique platform allowing the study of itinerant electron behavior in a localized antiferromagnetic matrix.

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Electron-lattice interactions strongly renormalize the charge-transfer energy in the spin-chain cuprate Li2 CuO2

2016, Johnston, Steve, Monney, Claude, Bisogni, Valentina, Zhou, Ke-Jin, Kraus, Roberto, Behr, Günter, Strocov, Vladimir N., Málek, Jiři, Drechsler, Stefan-Ludwig, Geck, Jochen, Schmitt, Thorsten, van den Brink, Jeroen

Strongly correlated insulators are broadly divided into two classes: Mott–Hubbard insulators, where the insulating gap is driven by the Coulomb repulsion U on the transition-metal cation, and charge-transfer insulators, where the gap is driven by the charge-transfer energy Δ between the cation and the ligand anions. The relative magnitudes of U and Δ determine which class a material belongs to, and subsequently the nature of its low-energy excitations. These energy scales are typically understood through the local chemistry of the active ions. Here we show that the situation is more complex in the low-dimensional charge-transfer insulator Li2CuO2, where Δ has a large non-electronic component. Combining resonant inelastic X-ray scattering with detailed modelling, we determine how the elementary lattice, charge, spin and orbital excitations are entangled in this material. This results in a large lattice-driven renormalization of Δ, which significantly reshapes the fundamental electronic properties of Li2CuO2.

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Robust and tunable itinerant ferromagnetism at the silicon surface of the antiferromagnet GdRh2Si2

2016, Güttler, M., Generalov, A., Otrokov, M.M., Kummer, K., Kliemt, K., Fedorov, A., Chikina, A., Danzenbächer, S., Schulz, S., Chulkov, E.V., Koroteev, Yu. M., Caroca-Canales, N., Shi, M., Radovic, M., Geibel, C., Laubschat, C., Dudin, P., Kim, T.K., Hoesch, M., Krellner, C., Vyalikh, D.V.

Spin-polarized two-dimensional electron states (2DESs) at surfaces and interfaces of magnetically active materials attract immense interest because of the idea of exploiting fermion spins rather than charge in next generation electronics. Applying angle-resolved photoelectron spectroscopy, we show that the silicon surface of GdRh2Si2 bears two distinct 2DESs, one being a Shockley surface state, and the other a Dirac surface resonance. Both are subject to strong exchange interaction with the ordered 4f-moments lying underneath the Si-Rh-Si trilayer. The spin degeneracy of the Shockley state breaks down below ~90 K, and the splitting of the resulting subbands saturates upon cooling at values as high as ~185 meV. The spin splitting of the Dirac state becomes clearly visible around ~60 K, reaching a maximum of ~70 meV. An abrupt increase of surface magnetization at around the same temperature suggests that the Dirac state contributes significantly to the magnetic properties at the Si surface. We also show the possibility to tune the properties of 2DESs by depositing alkali metal atoms. The unique temperature-dependent ferromagnetic properties of the Si-terminated surface in GdRh2Si2 could be exploited when combined with functional adlayers deposited on top for which novel phenomena related to magnetism can be anticipated.

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Weak-coupling superconductivity in a strongly correlated iron pnictide

2016, Charnukha, A., Post, K.W., Thirupathaiah, S., Pröpper, D., Wurmehl, S., Roslova, M., Morozov, I., Büchner, B., Yaresko, A.N.

Iron-based superconductors have been found to exhibit an intimate interplay of orbital, spin, and lattice degrees of freedom, dramatically affecting their low-energy electronic properties, including superconductivity. Albeit the precise pairing mechanism remains unidentified, several candidate interactions have been suggested to mediate the superconducting pairing, both in the orbital and in the spin channel. Here, we employ optical spectroscopy (OS), angle-resolved photoemission spectroscopy (ARPES), ab initio band-structure, and Eliashberg calculations to show that nearly optimally doped NaFe0.978Co0.022As exhibits some of the strongest orbitally selective electronic correlations in the family of iron pnictides. Unexpectedly, we find that the mass enhancement of itinerant charge carriers in the strongly correlated band is dramatically reduced near the Γ point and attribute this effect to orbital mixing induced by pronounced spin-orbit coupling. Embracing the true band structure allows us to describe all low-energy electronic properties obtained in our experiments with remarkable consistency and demonstrate that superconductivity in this material is rather weak and mediated by spin fluctuations.