Orbital ordering promotes weakly-interacting S=1/2 dimers in the triangular lattice compound Sr3Cr2O8

The weakly interacting S=1/2 dimers system Sr3Cr2O8 has been investigated by powder neutron diffraction and inelastic neutron scattering. Our data reveal a structural phase transition below room temperature corresponding to an antiferro-orbital ordering with nearly 90 degrees arrangement of the occupied 3z^2-r^2 d-orbital. This configuration leads to a drastic reduction of the inter-dimer exchange energies with respect to the high temperature orbital-disorder state, as shown by a spin-dimer analysis of the super-superexchange interactions performed using the Extended Huckel Tight Binding method. Inelastic neutron scattering reveals the presence of a quasi non-dispersive magnetic excitation at 5.4 meV, in agreement with the picture of weakly-interacting dimers

What did I leave out? Omitted variables in regression and qualitative comparative analysis

This is the author accepted manuscript. The final version is available from Palgrave Macmillan for European Consortium for Political Research via the DOI in this record.Social scientists often face a fundamental problem: Did I leave something causally important out of my explanation? How do I diagnose this? Where do I look for solutions to this problem? We build bridges between regression models and qualitative comparative analysis (QCA) by comparing diagnostics and solutions to the problem of omitted variables and conditions. We then discuss various approaches and tackle the theoretical issues around causality which must be addressed before attending to technical fixes. In the conclusions we reflect on the bridges built between the two traditions and draw more general lessons about the logic of social science research.Research for this project was funded by the ERC project 694632 Protego – Procedural Tools for Effective Governance and by the Goethe University of Frankfur

First-principles study of multiferroic RbFe(MoO4_4)2_2

We have investigated the magnetic structure and ferroelectricity in RbFe(MoO$_4$)$_2$ via first-principles calculations. Phenomenological analyses have shown that ferroelectricity may arise due to both the triangular chirality of the magnetic structure, and through coupling between the magnetic helicity and the ferroaxial structural distortion. Indeed, it was recently proposed that the structural distortion plays a key role in stabilising the chiral magnetic structure itself. We have determined the relative contribution of the two mechanisms via \emph{ab-initio} calculations. Whilst the structural axiality does induce the magnetic helix by modulating the symmetric exchange interactions, the electric polarization is largely due to the in-plane spin triangular chirality, with both electronic and ionic contributions being of relativistic origin. At the microscopic level, we interpret the polarization as a secondary steric consequence of the inverse Dzyaloshinskii-Moriya mechanism and accordingly explain why the ferroaxial component of the electric polarization must be small

Crisis, learning and policy change in the European Union

This is the author accepted manuscript. The final version is available from the publisher via the DOI in this record.What is the causal relationship between crisis, learning and change? How does causality works in the current responses to the sovereign debt crisis provided by the European Union? We question the conventional identification of the cause-and-effect relationship provided by theories of crisis management, integration and policy learning. Drawing on models of contingent learning developed within psychology and behavioural and evolutionary economics, we theorise that surprise produces behavioural change via a fast-paced associative cue-outcome mechanism and that policy learning follows change. We then run our exercise in causal identification through a plausibility probe. We show that our argument passes the plausibility probe. Our conclusions on cognition and situational effects on learning suggest a new research agenda, more sensitive to how individuals behave in the real world and more robust in its micro-foundations

Non-collinear long-range magnetic ordering in HgCr2S4

The low-temperature magnetic structure of \HG has been studied by high-resolution powder neutron diffraction. Long-range incommensurate magnetic order sets in at T$_N\sim$22K with propagation vector \textbf{k}=(0,0,$\sim$0.18). On cooling below T$_N$, the propagation vector increases and saturates at the commensurate value \textbf{k}=(0,0,0.25). The magnetic structure below T$_N$ consists of ferromagnetic layers in the \textit{ab}-plane stacked in a spiral arrangement along the \textit{c}-axis. Symmetry analysis using corepresentations theory reveals a point group symmetry in the ordered magnetic phase of 422 (D$_4$), which is incompatible with macroscopic ferroelectricity. This finding indicates that the spontaneous electric polarization observed experimentally cannot be coupled to the magnetic order parameter

Electrical switching of magnetic polarity in a multiferroic BiFeO3 device at room temperature

We have directly imaged reversible electrical switching of the cycloidal rotation direction (magnetic polarity) in a (111)-BiFeO3 epitaxial-film device at room temperature by non-resonant x-ray magnetic scattering. Consistent with previous reports, fully relaxed (111)-BiFeO3 epitaxial films consisting of a single ferroelectric domain were found to comprise a sub-micron-scale mosaic of magneto-elastic domains, all sharing a common direction of the magnetic polarity, which was found to switch reversibly upon reversal of the ferroelectric polarization without any measurable change of the magneto-elastic domain population. A real-space polarimetry map of our device clearly distinguished between regions of the sample electrically addressed into the two magnetic states with a resolution of a few tens of micron. Contrary to the general belief that the magneto-electric coupling in BiFeO3 is weak, we find that electrical switching has a dramatic effect on the magnetic structure, with the magnetic moments rotating on average by 90 degrees at every cycle.Comment: 6 pages, 5 figures; corrected figure

A Gillespie algorithm for efficient simulation of quantum jump trajectories

The jump unravelling of a quantum master equation decomposes the dynamics of an open quantum system into abrupt jumps, interspersed by periods of coherent dynamics where no jumps occur. Simulating these jump trajectories is computationally expensive, as it requires very small time steps to ensure convergence. This computational challenge is aggravated in regimes where the coherent, Hamiltonian dynamics are fast compared to the dissipative dynamics responsible for the jumps. Here, we present a quantum version of the Gillespie algorithm that bypasses this issue by directly constructing the waiting time distribution for the next jump to occur. In effect, this avoids the need for timestep discretisation altogether, instead evolving the system continuously from one jump to the next. We describe the algorithm in detail and discuss relevant limiting cases. To illustrate it we include four example applications of increasing physical complexity. These additionally serve to compare the performance of the algorithm to alternative approaches -- namely, the widely-used routines contained in the powerful Python library QuTip. We find significant gains in efficiency for our algorithm and discuss in which regimes these are most pronounced. Publicly available implementations of our code are provided in Julia and Mathematica.Comment: 13 pages, 4 figures. Comments welcom

Temperature and field dependence of the phase separation, structure, and magnetic ordering in La1−x_{1-x}Cax_xMnO3_3, (x=0.47x=0.47, 0.50, and 0.53)

Neutron powder diffraction measurements, combined with magnetization and resistivity data, have been carried out in the doped perovskite La$_{1-x}$Ca$_x$MnO$_3$ ($x=0.47$, 0.50, and 0.53) to elucidate the structural, magnetic, and electronic properties of the system around the composition corresponding to an equal number of Mn3+ and Mn4+. At room temperature all three samples are paramagnetic and single phase, with crystallographic symmetry Pnma. The samples then all become ferromagnetic (FM) at $T_C\approx 265$ K. At $\sim 230$ K, however, a second distinct crystallographic phase (denoted A-II) begins to form. Initially the intrinsic widths of the peaks are quite large, but they narrow as the temperature decreases and the phase fraction increases, indicating microscopic coexistence. The fraction of the sample that exhibits the A-II phase increases with decreasing temperature and also increases with increasing Ca doping, but the transition never goes to completion to the lowest temperatures measured (5 K) and the two phases therefore coexist in this temperature-composition regime. Phase A-II orders antiferromagnetically (AFM) below a N\'{e}el temperature $T_N \approx 160$ K, with the CE-type magnetic structure. Resistivity measurements show that this phase is a conductor, while the CE phase is insulating. Application of magnetic fields up to 9 T progressively inhibits the formation of the A-II phase, but this suppression is path dependent, being much stronger for example if the sample is field-cooled compared to zero-field cooling and then applying the field. The H-T phase diagram obtained from the diffraction measurements is in good agreement with the results of magnetization and resistivity.Comment: 12 pages, 3 tables, 11 figure

Immunohistochemical localization of constitutive and inducible heat shock protein 70 in carp (Cyprinus carpio) and trout (Oncorhynchus mykiss) exposed to transport stress.

In the present work we investigated by immunohistochemistry the cellular localization of constitutive as well as inducible heat shock protein 70 in several tissues of common carp (Cyprinus carpio) and rainbow trout (Oncorhynchus mykiss) exposed to transport stress. In carp, the constitutive form (HSC70) was detected only in red skeletal muscle of both control and stressed animals. In the same species, the inducible form (HSP70) was evident in the epithelia of renal tubules, gills and skin of stressed animals, whereas in controls only red skeletal muscle exhibited an immunopositivity to HSP70 antibody. In trout, immunostaining to HSC70 antibody was found mainly in the epithelia of intestine, gills and skin of both control and stressed animals although the reactivity was generally higher in animals exposed to transport stress. In the same species immunostaining to HSP70 antibody was observed only in red skeletal muscle and epidermis of control animals

The structure of intercalated water in superconducting Na0.35_{0.35}CoO2⋅_{2}\cdot1.37D2_{2}O: Implications for the superconducting phase diagram

We have used electron and neutron powder diffraction to elucidate the structural properties of superconducting \NaD. Our measurements show that our superconducting sample exhbits a number of supercells ranging from ${1/3}a^{*}$ to ${1/15}a^{*}$, but the most predominant one, observed also in the neutron data, is a double hexagonal cell with dimensions \dhx. Rietveld analysis reveals that \deut\space is inserted between CoO$_{2}$ sheets as to form a layered network of NaO$_{6}$ triangular prisms. Our model removes the need to invoke a 5K superconducting point compound and suggests that a solid solution of Na is possible within a constant amount of water $y$.Comment: 4 pages, 3 figure