Origin of the Magnetic Exciton in the van der Waals Antiferromagnet NiPS_{3}.

An ultrasharp photoluminescence line intimately related to antiferromagnetic order has been found in NiPS_{3}, a correlated van der Waals material, opening prospects for magneto-optical coupling schemes and spintronic applications. Here we unambiguously clarify the singlet origin of this excitation, confirming its roots in the spin structure. Based on a comprehensive investigation of the electronic structure using angle-resolved photoemission and q-dependent electron energy loss spectroscopy as experimental tools we develop, in a first step, an adequate theoretical understanding using density functional theory (DFT). In a second step the DFT is used as input for a dedicated multiplet theory by which we achieve excellent agreement with available multiplet spectroscopy. Our Letter connects the understanding of the electronic structure and of optical processes in NiPS_{3} and related materials as a prerequisite for further progress of the field.

J_{eff} Description of the Honeycomb Mott Insulator α-RuCl_{3}.

Novel ground states might be realized in honeycomb lattices with strong spin-orbit coupling. Here we study the electronic structure of α-RuCl_{3}, in which the Ru ions are in a d^{5} configuration and form a honeycomb lattice, by angle-resolved photoemission, x-ray photoemission, and electron energy loss spectroscopy supported by density functional theory and multiplet calculations. We find that α-RuCl_{3} is a Mott insulator with significant spin-orbit coupling, whose low energy electronic structure is naturally mapped onto J_{eff} states. This makes α-RuCl_{3} a promising candidate for the realization of Kitaev physics. Relevant electronic parameters such as the Hubbard energy U, the crystal field splitting 10 Dq, and the charge transfer energy Δ are evaluated.

(pi, pi) electronic order in iron arsenide superconductors.

The distribution of valence electrons in metals usually follows the symmetry of the underlying ionic lattice. Modulations of this distribution often occur when those electrons are not stable with respect to a new electronic order, such as spin or charge density waves. Electron density waves have been observed in many families of superconductors, and are often considered to be essential for superconductivity to exist. Recent measurements seem to show that the properties of the iron pnictides are in good agreement with band structure calculations that do not include additional ordering, implying no relation between density waves and superconductivity in these materials. Here we report that the electronic structure of Ba(1-x)K(x)Fe(2)As(2) is in sharp disagreement with those band structure calculations, and instead reveals a reconstruction characterized by a (pi, pi) wavevector. This electronic order coexists with superconductivity and persists up to room temperature (300 K).

In situ self-assembled organic interface layers for the controlled growth of oligothiophene thin films on ferroelectric Pb(Zr(0.2)Ti(0.8))O3.

We introduce an in situ vacuum procedure for the optimal preparation and analysis of self-assembled monolayers (SAMs) as used in organic molecular electronics on ferroelectric lead zirconate titanate (PZT) substrates. Excellent ordering of oligothiophene semiconductor layers is heavily promoted through the presence of an interfacial bi-functional SAM layer that binds to both the oxidic PZT surface and the organic semiconductor molecules. The described method can be extended to other material combinations, featuring a variety of substrate materials and molecular functionalities.

Anomalous quasiparticle renormalization in Na0.73CoO2: role of interorbital interactions and magnetic correlations.

We report an angular resolved photoemission study of NaxCoO2 with x approximately 0.73 where it is found that the renormalization of the quasiparticle (QP) dispersion changes dramatically upon a rotation from GammaM to GammaK. The comparison of the experimental data to the calculated band structure reveals that the quasiparticle renormalization is most pronounced along the GammaK direction, while it is significantly weaker along the GammaM direction. We discuss the observed anisotropy in terms of multiorbital effects and point out the relevance of magnetic correlations for the band structure of NaxCoO2 with x approximately 0.75.

Polarization driven conductance variations at charged ferroelectric domain walls.

Conducting domain walls (CDWs) in ferroelectric materials are promising candidates for applications in a manifold of nanoscale, optoelectronic devices. Characterization of their microscopic properties, however, remains challenging due to their small dimension and highly insulating environment. Here, we inspect individual CDWs in single-crystalline LiNbO3 by the combination of photoemission electron microscopy (PEEM) and second harmonic generation (SHG) microscopy. While SHG unveils the overall domain wall inclination angle α, PEEM is sensitive to local conductance variations, both at and away from the domain wall. Thus, the two imaging techniques deliver complementary information over a large field of view. In agreement with earlier theoretical predictions we find that the local conductance is dictated by α and reveal a quantitative connection between them. Our results help to elucidate the electronic structure of CDWs and underline the value of PEEM as a non-contact characterization tool for mapping local conductance variations in highly resistive environments.

Site-selective spectroscopy with depth resolution using resonant x-ray reflectometry.

Combining dissimilar transition metal oxides (TMOs) into artificial heterostructures enables to create electronic interface systems with new electronic properties that do not exist in bulk. A detailed understanding of how such interfaces can be used to tailor physical properties requires characterization techniques capable to yield interface sensitive spectroscopic information with monolayer resolution. In this regard resonant x-ray reflectivity (RXR) provides a unique experimental tool to achieve exactly this. It yields the element specific electronic depth profiles in a non-destructive manner. Here, using a YBa2Cu3O7-δ (YBCO) thin film, we demonstrate that RXR is further capable to deliver site selectivity. By applying a new analysis scheme to RXR, which takes the atomic structure of the material into account, together with information of the local charge anisotropy of the resonant ions, we obtained spectroscopic information from the different Cu sites (e.g., chain and plane) throughout the film profile. While most of the film behaves bulk-like, we observe that the Cu-chains at the surface show characteristics of electron doping, whereas the Cu-planes closest to the surface exhibit an orbital reconstruction similar to that observed at La1-x Ca x MnO3/YBCO interfaces.

Nesting-driven multipolar order in CeB6 from photoemission tomography.

Some heavy fermion materials show so-called hidden-order phases which are invisible to many characterization techniques and whose microscopic origin remained controversial for decades. Among such hidden-order compounds, CeB6 is of model character due to its simple electronic configuration and crystal structure. Apart from more conventional antiferromagnetism, it shows an elusive phase at low temperatures, which is commonly associated with multipolar order. Here we show that this phase roots in a Fermi surface instability. This conclusion is based on a full 3D tomographic sampling of the electronic structure by angle-resolved photoemission and comparison with inelastic neutron scattering data. The hidden order is mediated by itinerant electrons. Our measurements will serve as a paradigm for the investigation of hidden-order phases in f-electron systems, but also generally for situations where the itinerant electrons drive orbital or spin order.

X-ray photoemission study of CeTIn(5) (T = Co, Rh, Ir).

We investigated CeTIn5 (T = Co, Rh, Ir) using temperature- and angle-dependent x-ray photoemission spectroscopy. The Ce 3d core level has a very similar shape for all three materials and is indicative of weak f-hybridization. The spectra were analyzed using a simplified version of the Anderson impurity model, which yields a Ce 4f occupancy that is larger than 0.9. The temperature dependence shows a continuous, irreversible and exclusive broadening of the Ce 3d peaks, due to oxidation of Ce at the surface.

Eye movements in German-speaking children with and without dyslexia when reading aloud.

PURPOSE: The phonological difficulty and orthographic regularity of a language influence reading strategies. Only a few studies have been conducted in readers of German, which has a high grapheme-phoneme correspondence. The aim of this study was to investigate, firstly, the influence of different levels of phonological difficulty of reading material in German on reading in children and, secondly, to compare the reading strategies of German children with findings in English-speaking readers. METHODS: Eye movements in 16 German children with dyslexia and 16 age-matched control children (mean age 9.5±0.35years) in the third and fourth grades of school were recorded by scanning laser ophthalmoscope while they read aloud two texts of differing levels of difficulty. RESULTS: In the dyslexia group, reading speed was slowed, and the number of saccades and regressions was raised markedly, although the percentage of regressions only slightly. The number of eye movements increased in both groups with increasing text difficulty, although much more in the dyslexia group than in the control group, whereas fixation duration was not influenced. CONCLUSIONS: Phonological difficulty influences reading speed and eye movement pattern: children with dyslexia markedly increase their number of eye movements and analyse the text in smaller units per fixation, but keep fixation duration constant. This strategy reflects their favouring of the indirect, sublexical route of grapheme-phoneme conversion, whereas readers of English-language texts are more likely to prefer the whole-word approach, i.e. the direct, lexical route that is associated with orthographic memory.

Electronic structure and nesting-driven enhancement of the RKKY interaction at the magnetic ordering propagation vector in Gd2PdSi3 and Tb2PdSi3.

Measurements of the low-energy electronic structure in Gd2PdSi3 and Tb2PdSi3 by means of angle-resolved photoelectron spectroscopy reveal a Fermi surface consisting of an electron barrel at the Gamma point surrounded by spindle-shaped electron pockets originating from the same band. The calculated momentum-dependent RKKY coupling strength is peaked at the 1/2GammaK wave vector, which coincides with the propagation vector of the low-temperature in-plane magnetic order observed by neutron diffraction, thereby demonstrating the decisive role of the Fermi surface geometry in explaining the complex magnetic ground state of ternary rare earth silicides.

Temperature and doping-dependent renormalization effects of the low energy electronic structure of Ba1-xKxFe2As2 single crystals.

We investigate the low energy electronic structure of Ba1-xKxFe2As2 (x=0; 0.3, T_{c}=32 K) single crystals by angle-resolved photoemission spectroscopy with a focus on the renormalization of the dispersion. A kink feature is detected at E approximately 25 meV for the doped compound which vanishes at T=200 K but stays virtually constant when T_{c} is crossed. Our experimental findings rule out the magnetic resonance mode as the origin of the kink and render conventional electron-phonon coupling unlikely. They put stringent restrictions on the dominant source of the electronic interaction channel.

Electron-electron correlation in graphite: a combined angle-resolved photoemission and first-principles study.

The full three-dimensional dispersion of the pi bands, Fermi velocities, and effective masses are measured with angle-resolved photoemission spectroscopy and compared to first-principles calculations. The band structure by density-functional theory underestimates the slope of the bands and the trigonal warping effect. Including electron-electron correlation on the level of the GW approximation, however, yields remarkable improvement in the vicinity of the Fermi level. This demonstrates the breakdown of the independent electron picture in semimetallic graphite and points toward a pronounced role of electron correlation for the interpretation of transport experiments and double-resonant Raman scattering for a wide range of carbon based materials.

Parity of the pairing bosons in a high-temperature Pb-Bi2Sr2CaCu2O8 bilayer superconductor by angle-resolved photoemission spectroscopy.

We report the observation of a novel effect in the bilayer Pb-Bi2Sr2CaCu2O8 (Pb-Bi2212) high-T(c) superconductor by means of angle-resolved photoemission with circularly polarized excitation. Different scattering rates, determined as a function of energy separately for the bonding and antibonding copper-oxygen bands, strongly imply that the dominating scattering channel is odd with respect to layer exchange within a bilayer. This is inconsistent with a phonon-mediated scattering and favors the participation of the odd collective spin excitations in the scattering mechanism in near-nodal regions of the k space, suggesting a magnetic nature of the pairing mediator.

Kinks, nodal bilayer splitting, and interband scattering in YBa2Cu3O(6+x).

We apply the new-generation angle-resolved photoemission spectroscopy methodology to the most widely studied cuprate superconductor YBa2Cu3O(6+x). Considering the nodal direction, we found noticeable renormalization effects known as kinks both in the quasiparticle dispersion and scattering rate, the bilayer splitting, and evidence for strong interband scattering--all the characteristic features of the nodal quasiparticles detected earlier in Bi2Sr2CaCu2O(8+delta). The typical energy scale and the doping dependence of the kinks clearly point to their intimate relation with the spin-1 resonance seen in the neutron scattering experiments. Our findings strongly suggest a universality of the electron dynamics in the bilayer superconducting cuprates and a dominating role of the spin fluctuations in the formation of the quasiparticles along the nodal direction.

Effect of Zn and Ni impurities on the quasiparticle renormalization of superconducting Bi-2212.

The Cu substitution by Zn and Ni impurities and its influence on the mass renormalization effects in angle-resolved photoelectron spectra (ARPES) of Bi2Sr2CaCu2O8-delta is addressed. We show that the nonmagnetic Zn atoms have a much stronger effect in both the nodal and antinodal parts of the Brillouin zone than magnetic Ni. The observed changes are consistent with the behavior of the spin resonance mode as seen by inelastic neutron scattering in YBCO. This strongly suggests that the "peak-dip-hump" and the kink in ARPES on the one side and neutron resonance on the other are closely related features.

Doping dependence of the mass enhancement in (Pb,Bi)2Sr2CaCu2O8 at the antinodal point in the superconducting and normal states.

Angle-resolved photoemission spectroscopy is used to study the mass renormalization of the charge carriers in the high-T(c) superconductor (Pb,Bi)2Sr2CaCu2O8 in the vicinity of the (pi,0) point in the superconducting and the normal states. Using matrix element effects at different photon energies and due to a high momentum and energy resolution the bonding and the antibonding bands could be separated in the whole dopant range. A huge coupling to a bosonic collective mode is observed below T(c) for both bands, in particular, for the underdoped case. Above T(c), a weaker coupling to a continuous spectrum of modes is detected.

Nonmonotonic d(x(2)-y(2)) superconducting order parameter in Nd2-xCexCuO4.

Low energy polarized electronic Raman scattering of the electron-doped superconductor Nd2-x Ce x CuO4 ( x = 0.15, T(c) = 22 K) has revealed a nonmonotonic d(x(2)-y(2)) superconducting order parameter. It has a maximum gap of 4.4k(B)T(c) at Fermi surface intersections with an antiferromagnetic Brillouin zone (the "hot spots") and a smaller gap of 3.3k(B)T(c) at fermionic Brillouin zone boundaries. The gap enhancement in the vicinity of the hot spots emphasizes the role of antiferromagnetic fluctuations and the similarity in the origin of superconductivity for electron- and hole-doped cuprates.

Circular dichroism in angle-resolved photoemission spectra of under- and overdoped Pb-Bi2212.

We use angle-resolved photoemission with circularly polarized excitation to demonstrate that in the 5 x 1 superstructure-free (Pb,Bi)(2)Sr(2)CaCu(2)O(8+delta) (Pb-Bi2212) material there are no signatures of time-reversal symmetry breaking in the sense of the criteria developed earlier [Nature (London) 416, 610 (2002)]]. The dichroic signal retains reflection antisymmetry as a function of temperature and doping and in all mirror planes, precisely defined by the experimental dispersion at low energies. The obtained results demonstrate that the signatures of time-reversal symmetry violation in pristine Bi2212, as determined by angle-resolved photoemission spectroscopy, are not a universal feature of all cuprate superconductors.

Anomalous enhancement of the coupling to the magnetic resonance mode in underdoped Pb-Bi2212.

High-resolution angle-resolved photoemission with variable excitation energies is used to disentangle bilayer splitting effects and intrinsic (self-energy) effects in the electronic spectral function near the (pi,0) point of differently doped (Pb,Bi)(2)Sr(2)CaCu(2)O(8+delta). In contrast to overdoped samples, where intrinsic effects at the (pi,0) point are virtually absent, we find in underdoped samples intrinsic effects in the superconducting-state (pi,0) spectra of the antibonding band. This intrinsic effect is present only below the critical temperature and weakens considerably with doping. Our results give strong support for models which involve a strong coupling of electronic excitations with the resonance mode seen in inelastic neutron scattering experiments.