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BaCo$_2$(AsO$_4$)$_2$ (BCAO), a honeycomb cobaltate, is considered a promising candidate for materials displaying the Kitaev quantum spin liquid state. This assumption is based on the distinctive characteristics of Co$^{2+}$ ions (3$d^7$) within an octahedral crystal environment, resulting in spin-orbit-coupled $J_{\rm eff}$~=~1/2 doublet states. However, recent experimental observations and theoretical analyses have raised questions regarding this hypothesis. Despite these uncertainties, reports of continuum excitations reminiscent of spinon excitations have prompted further investigations. In this study, we explore the magnetic phases of BCAO under both in-plane and out-of-plane magnetic fields, employing dc and ac magnetic susceptibilities, capacitance, and torque magnetometry measurement. Our results affirm the existence of multiple field-induced magnetic phases, with strong anisotropy of the phase boundaries between in-plane and out-of-plane fields. To elucidate the nature of these phases, we develop a minimal anisotropic exchange model. This model, supported by combined first principles calculations and theoretical modeling, quantitatively reproduces our experimental data. In BCAO, the combination of strong bond-independent XXZ anisotropy and geometric frustration leads to significant quantum order by disorder effects that stabilize collinear phases under both zero and finite magnetic fields., Comment: 14 pages, 5 main + 5 supplementary figures

Executing temporal plans in the real and open world requires adapting to uncertainty both in the environment and in the plan actions. A plan executor must therefore be flexible to dispatch actions based on the actual execution conditions. In general, this involves considering both event and time-based constraints between the actions in the plan. A simple temporal network (STN) is a convenient framework for specifying the constraints between actions in the plan. Likewise, a behavior tree (BT) is a convenient framework for controlling the execution flow of the actions in the plan. The principle contributions of this paper are i) an algorithm for transforming a plan into an STN, and ii) an algorithm for transforming an STN into a BT. When combined, these algorithms define a systematic approach for executing total-order (time-triggered) plans in robots operating in the real world. Our approach is based on creating a graph describing a deordered (state-triggered) plan and then creating a BT representing a partial-order (determined at runtime) plan. This approach ensures the correct execution of plans, including those with required concurrency. We demonstrate the validity of our approach within the PlanSys2 framework on real robots.

We report neutron scattering, pressure-dependent AC calorimetry, and AC magnetic susceptibility measurements of triangular lattice NaYbSe$_2$. We observe a continuum of scattering, which is reproduced by matrix product simulations, and no phase transition is detected in any bulk measurements. Comparison to heat capacity simulations suggest the material is within the Heisenberg spin liquid phase. AC Susceptibility shows a significant 23~mK downturn, indicating a gap in the magnetic spectrum. The combination of a gap with no detectable magnetic order, comparison to theoretical models, and comparison to other $A$YbSe$_2$ compounds all strongly indicate NaYbSe$_2$ is within the quantum spin liquid phase. The gap also allows us to rule out a gapless Dirac spin liquid, with a gapped $\mathbb{Z}_2$ liquid the most natural explanation., Comment: 5 pages, 4 figures; 7 pages and 13 figures supplemental materials

We have investigated the magnetic properties and mapped out the phase diagram of the honeycomb magnet Na2Co2TeO6 with Co 3d7 in out-of-plane magnetic fields. This material has previously been proposed to show nearest-neighbor Kitaev interactions between Co spins and maybe even Kitaev quantum spin liquid behavior in high fields. At low magnetic fields, we observe a thermal phase transition at TN = 27 K, transitioning from a paramagnetic state to a canonical ferrimagnetic state. Under the application of magnetic fields, a spin flop-like phase transition occurred before saturation of J = 1/2 between 10 K and TN. Below 10 K, a peak-dip-peak structure emerges between 10 and 17 T in the magnetic susceptibility (dM/dH) before the magnetic saturation, reminiscent of magnetic plateau behavior. The measurement of the magnetocaloric effect also shows dip-peak-dip behavior in this field range. Our data can be explained by an XXZ model with a single ion anisotropy and possibly small Kitaev and {\Gamma} exchange interactions. We also unambiguously determined the magnetization saturation field that helps constrain the energy scale of the exchange interactions, Comment: LA-UR-24-24990

Commercialization of printed photovoltaics requires knowledge of the optimal composition and microstructure of the single layers, and the ability to control these properties over large areas under industrial conditions. While microstructure optimization can be readily achieved by lab scale methods, the transfer from laboratory scale to a pilot production line ('lab to fab') is a slow and cumbersome process. Here, we show how we can optimize the performance of organic solar cells and at the same time assess process performance in a 2D combinatorial approach directly on an industrially relevant slot die coating line. This is enabled by a multi-nozzle slot die coating head allowing parameter variations along and across the web. This modification allows us to generate and analyze 3750 devices in a single coating run, varying the active layer donor:acceptor ratio and the thickness of the electron transport layer (ETL). We use Gaussian Process Regression (GPR) to exploit the whole dataset for precise determination of the optimal parameter combination. Performance-relevant features of the active layer morphology are inferred from UV-Vis absorption spectra. By mapping morphology in this way, small undesired gradients of process conditions (extrusion rates, annealing temperatures) are detected and their effect on device performance is quantified. The correlation between process parameters, morphology and performance obtained by GPR provides hints to the underlying physics, which are finally quantified by automated high-throughput drift-diffusion simulations. This leads to the conclusion that voltage losses which are observed for very thin ETL coatings are due to incomplete coverage of the electrode by the ETL, which cause enhanced surface recombination., Comment: 13 pages, 5 figures

Patient specific brain mesh generation from MRI can be a time consuming task and require manual corrections, e.g., for meshing the ventricular system or defining subdomains. To address this issue, we consider an image registration approach. The idea is to use the registration of an input magnetic resonance image (MRI) to a respective target in order to obtain a new mesh from a template mesh. To obtain the transformation, we solve an optimization problem that is constrained by a linear hyperbolic transport equation. We use a higher-order discontinuous Galerkin finite element method for discretization and motivate the numerical upwind scheme and its limitations from the continuous weak space--time formulation of the transport equation. We present a numerical implementation that builds on the finite element packages FEniCS and dolfin-adjoint. To demonstrate the efficacy of the proposed approach, numerical results for the registration of an input to a target MRI of two distinct individuals are presented. Moreover, it is shown that the registration transforms a manually crafted input mesh into a new mesh for the target subject whilst preserving mesh quality. Challenges of the algorithm are discussed.

Continuous spin excitations are widely recognized as one of the hallmarks of novel spin states in quantum magnets, such as quantum spin liquids (QSLs). Here, we report the observation of such kind of excitations in K2Ni2(SO4)3, which consists of two sets of intersected spin-1 Ni2+ trillium lattices. Our inelastic neutron scattering measurement on single crystals clearly shows a dominant excitation continuum, which exhibits a distinct temperature-dependent behavior from that of spin waves, and is rooted in strong quantum spin fluctuations. Further using the self-consistent-gaussian-approximation method, we determined the fourth- and fifth-nearest neighbor exchange interactions are dominant. These two bonds together form a unique three-dimensional network of corner-sharing tetrahedra, which we name as ''hyper-trillium'' lattice. Our results provide direct evidence for the existence of QSL features in K2Ni2(SO4)3 and highlight the potential for the hyper-trillium lattice to host frustrated quantum magnetism., Comment: 6 pages and 5 figures, plus several pages of supplemental material, comments are welcome

The 3$d^7$ Co$^{2+}$-based insulating magnet \NCTO{} has recently been reported to have strong Kitaev interactions on a honeycomb lattice, and is thus being considered as a Kitaev quantum spin liquid candidate. However, due to the existence of other types of interactions, a spontaneous long-range magnetic order occurs. This order is suppressed by applied magnetic fields leading to a succession of phases and ultimately saturation of the magnetic moments. The precise phase diagram, the nature of the phases, and the possibility that one of the field-induced phases is a Kitaev quantum spin liquid phase are still a matter of debate. Here we measured an extensive set of physical properties to build the complete temperature-field phase diagrams to magnetic saturation at 10 T for magnetic fields along the $a$- and $a^*$-axes, and a partial phase diagram up to 60 T along $c$. We probe the phases using magnetization, specific heat, magnetocaloric effect, magnetostriction, dielectric constant, and electric polarization, which is a symmetry-sensitive probe. With these measurements we identify all the previously incomplete phase boundaries and find new high-field phase boundaries. We find strong magnetoelectric coupling in the dielectric constant and moderate magnetostrictive coupling at several phase boundaries. Furthermore, we detect the symmetry of the magnetic order using electrical polarization measurements under magnetic fields. Based on our analysis, the absence of electric polarization under zero or finite magnetic field in any of the phases or after..., Comment: LA-UR-22-32574

Sensor visibility is crucial for safety-critical applications in automotive, robotics, smart infrastructure and others: In addition to object detection and occupancy mapping, visibility describes where a sensor can potentially measure or is blind. This knowledge can enhance functional safety and perception algorithms or optimize sensor topologies. Despite its significance, to the best of our knowledge, neither a common definition of visibility nor performance metrics exist yet. We close this gap and provide a definition of visibility, derived from a use case review. We introduce metrics and a framework to assess the performance of visibility estimators. Our metrics are verified with labeled real-world and simulation data from infrastructure radars and cameras: The framework easily identifies false visible or false invisible estimations which are safety-critical. Applying our metrics, we enhance the radar and camera visibility estimators by modeling the 3D elevation of sensor and objects. This refinement outperforms the conventional planar 2D approach in trustfulness and thus safety.

We present a high-field study of the strongly anisotropic easy-plane square lattice $S$ = 2 quantum magnet Ba$_{2}$FeSi$_{2}$O$_{7}$. This compound is a rare high-spin antiferromagnetic system with very strong easy-plane anisotropy, such that the interplay between spin level crossings and antiferromagnetic order can be studied. We observe a magnetic field-induced spin level crossing occurring within an ordered state. This spin level crossing appears to preserve the magnetic symmetry while producing a non-monotonic dependence the order parameter magnitude. The resulting temperature-magnetic field phase diagram exhibits two dome-shaped regions of magnetic order overlapping around 30 T. The ground state of the lower-field dome is predominantly a linear combination of $| S^{z} = 0 \rangle$ and $ |S^{z} = 1 \rangle$ states, while the ground state of the higher-field dome can be approximated by a linear combination of $| S^{z} = 1 \rangle $ and $ | S^{z} = 2\rangle$ states. At 30 T, where the spin levels cross, the magnetization exhibits a slanted plateau, {\color {black}the magnetocaloric effect shows a broad hump, and the electric polarization shows a weak slope change}. We determined the detailed magnetic phase boundaries and the spin level crossings using measurements of magnetization, electric polarization, and the magnetocaloric effect in pulsed magnetic fields to 60 T. We calculate these properties using a mean field theory based on direct products of SU(5) coherent states and find good agreement. Finally, we measure and calculate the magnetically-induced electric polarization that reflects magnetic ordering and spin level crossings. This multiferroic behavior provides another avenue for detecting phase boundaries and symmetry changes., Comment: 9 pages, 5 figures

There has been a recent surge of interest in UTe$_2$ due to its unconventional magnetic field (H) reinforced spin-triplet superconducting phases persisting at fields far above the simple Pauli limit for H $\parallel$ [010]. Magnetic fields in excess of 35 T then induce a field-polarized magnetic state via a first-order-like phase transition. More controversially, for field orientations close to H $\parallel$ [011] and above 40 T, electrical resistivity measurements suggest that a further superconducting state may exist. However, no Meissner effect or thermodynamic evidence exists to date for this phase making it difficult to exclude a simple low-resistance metallic state. In this paper, we describe a study using thermal, electrical, and magnetic probes in magnetic fields of up to 55 T applied between the [010] ($b$) and [001] ($c$) directions. Our MHz conductivity data reveal the field-induced state of low or vanishing electrical resistance; simultaneous magnetocaloric effect measurements (i.e. changes in sample temperature due to changing magnetic field), show the first definitive evidence for adiabaticity and thermal behavior characteristic of bulk field-induced superconductivity.

Mixed dimensional hybrid structures have recently gained increasing attention as promising building blocks for novel electronic and optoelectronic devices. In this context, hybridization of semiconductor nanowires with two-dimensional materials could offer new ways to control and modulate lasing at the nanoscale. In this work, we deterministically fabricate hybrid mixed-dimensional heterostructures composed of ZnO nanowires and MoS2 monolayers with micrometer control over their relative position. First, we show that our deterministic fabrication method does not degrade the optical properties of the ZnO nanowires. Second, we demonstrate that the lasing wavelength of ZnO nanowires can be tuned by several nanometers by hybridization with CVD-grown MoS2 monolayers. We assign this spectral shift of the lasing modes to an efficient carrier transfer at the heterointerface and the subsequent increase of the optical band gap in ZnO (Moss-Burstein effect).

In recent years, a plethora of methods combining deep neural networks and partial differential equations have been developed. A widely known and popular example are physics-informed neural networks. They solve forward and inverse problems involving partial differential equations in terms of a neural network training problem. We apply physics-informed neural networks as well as the finite element method to estimate the diffusion coefficient governing the long term, i.e. over days, spread of molecules in the human brain from a novel magnetic resonance imaging technique. Synthetic testcases are created to demonstrate that the standard formulation of the physics-informed neural network faces challenges with noisy measurements in our application. Our numerical results demonstrate that the residual of the partial differential equation after training needs to be small in order to obtain accurate recovery of the diffusion coefficient. To achieve this, we apply several strategies such as tuning the weights and the norms used in the loss function as well as residual based adaptive refinement and exchange of residual training points. We find that the diffusion coefficient estimated with PINNs from magnetic resonance images becomes consistent with results from a finite element based approach when the residuum after training becomes small. The observations presented in this work are an important first step towards solving inverse problems on observations from large cohorts of patients in a semi-automated fashion with physics-informed neural networks.

Since Purcell's seminal report 75 years ago, electromagnetic resonators have been used to control light-matter interactions to make brighter radiation sources and unleash unprecedented control over quantum states of light and matter. Indeed, optical resonators such as microcavities and plasmonic nanostructures offer excellent control but only over a limited spectral range. Strategies to tune both emission and the resonator are often required, which preclude the possibility of enhancing multiple transitions simultaneously. In this letter, we report a more than 590-fold radiative emission enhancement across the telecommunications emission band of Erbium-ions in silica using a single non-resonant plasmonic waveguide. Our plasmonic waveguide uses a novel reverse nanofocusing approach to efficiently collect emission, making these devices brighter than all non-plasmonic control samples considered. Remarkably, the high broadband Purcell factor allows us to resolve the Stark-split electric dipole transitions, which are typically only observed under cryogenic conditions. Simultaneous Purcell enhancement of multiple quantum states is of interest for photonic quantum networks as well as on-chip data communications.

The single-molecule magnet {Mn84} is a challenge to theory due to its high nuclearity. Building on our prior work which characterized the structure of the spectrum of this magnet, we directly compute two experimentally accessible observables, the field-dependent magnetization up to 75 T and the temperature-dependent heat capacity, using parameter free theory. In particular, we use first principles calculations to derive short- and long-range exchange interactions, while we compute the exact partition function of the resulting classical Potts and Ising spin models for all 84 Mn $S=2$ spins to obtain the observables. The latter computation is possible because of a simulation methodology that uses hyper-optimized tensor network contraction, borrowing from recent techniques developed to simulate quantum supremacy circuits. We also synthesize the magnet and measure its heat capacity and field-dependent magnetization. We observe good qualitative agreement between theory and experiment, identifying an unusual peak in the heat capacity in both, as well as a plateau in the magnetization. Our work also identifies some limitations of current theoretical modeling in large magnets, such as the sensitivity to small, long-range, exchange couplings., Comment: 7 pages, 8 figures. DTC and PH contributed equally

Ca3Co2O6 is a frustrated magnet consisting of a triangular arrangement of chains of Ising spins. It shows regular magnetization steps vs magnetic field every 1.2 T that are metastable with very slow dynamics. This has puzzled the community for many years and given rise to numerous potential theories. Here we approach the problem by seeking the elusive magnetic equilibrium state at T = 2 K. To this end, we explore two approaches: (1) bypassing the slow dynamics produced by changing fields by instead field-cooling directly to the target temperature, and (2) quantum annealing in transverse magnetic fields. While we observe no measurable effect of the quantum annealing in fields up to 7 T, which is likely due to the large Ising anisotropy of Co spins in this material, we find that for the field cooling in longitudinal fields we achieve the predicted equilibrium 1/3 magnetization. We perform Monte Carlo simulations of the ground state phase diagram and we also simulate the quantum annealing process and find good agreement between experiment and theory. Thus we present an investigation of the elusive ground state properties of the canonical frustrated triangular system Ca3Co2O6.

Novel two-dimensional electron systems at the interfaces and surfaces of transition-metal oxides recently have attracted much attention as they display tunable, intriguing properties that can be exploited in future electronic devices. Here we show that a high-mobility quasi-two-dimensional electron system with strong spin-orbit coupling can be induced at the surface of a KTaO$_3$ (001) crystal by pulsed laser deposition of a disordered LaAlO$_3$ film. The momentum-resolved electronic structure of the buried electron system is mapped out by hard x-ray angle-resolved photoelectron spectroscopy. From a comparison to calculations it is found that the band structure deviates from that of electron-doped bulk KTaO$_3$ due to the confinement to the interface. Nevertheless, the Fermi surface appears to be clearly three-dimensional. From the $k$ broadening of the Fermi surface and core-level depth profiling we estimate the extension of the electron system to be at least 1 nm but not much larger than 2 nm, respectively., Comment: 13 pages, 7 figures

Giant magnetostriction in insulating magnetic materials is highly required for applications but is rarely observed. Here we show that giant magnetostriction (> 1500 ppm) can be achieved in an insulating transition metal oxide CaBaCo4O7 where the ferrimagnetic ordering at TC ~ 62 K is associated with a huge change in the lattice. Moreover, because this material is pyroelectric with a non-switchable electric polarization (P), the giant magnetostriction results in a record-breaking magnetoelectric effect - a gigantic change of electric polarization (deltaP ~ 1.6 {\mu}C/cm2) in response to the applied magnetic field up to 60 T. Geometric frustration as well as the orbital instability of Co2+/Co3+ ions is believed to play a crucial role in the giant magnetostriction. Our study provides new insights on how to achieve both giant magnetostriction and pronounced magnetoelectric effect in insulating transition metal oxides., Comment: 17 pages, 4 figures

With the motivation to study how non-magnetic ion site disorder affects the quantum magnetism of Ba3CoSb2O9, a spin-1/2 equilateral triangular lattice antiferromagnet, we performed DC and AC susceptibility, specific heat, elastic and inelastic neutron scattering measurements on single crystalline samples of Ba2.87Sr0.13CoSb2O9 with Sr doping on non-magnetic Ba2+ ion sites. The results show that Ba2.87Sr0.13CoSb2O9 exhibits (i) a two-step magnetic transition at 2.7 K and 3.3 K, respectively; (ii) a possible canted 120-degree spin structure at zero field with reduced ordered moment as 1.24{\mu}B/Co; (iii) a series of spin state transitions for both H // ab-plane and H // c-axis. For H // ab-plane, the magnetization plateau feature related to the up-up-down phase is significantly suppressed; (iv) an inelastic neutron scattering spectrum with only one gapped mode at zero field, which splits to one gapless and one gapped mode at 9 T. All these features are distinctly different from those observed for the parent compound Ba3CoSb2O9, which demonstrates that the non-magnetic ion site disorder (the Sr doping) plays a complex role on the magnetic properties beyond the conventionally expected randomization of the exchange interactions. We propose the additional effects including the enhancement of quantum spin fluctuations and introduction of a possible spatial anisotropy through the local structural distortions., Comment: 10 pages, 10 figures

We report the magnetization ($\chi$, $M$), specific heat ($C_{\text{P}}$), and neutron powder diffraction results on a quasi-two-dimensional $S$ = 2 square lattice antiferromagnet Ba$_2$FeSi$_2$O$_7$ consisting of FeO$_4$ tetragons with a large compressive distortion (27%). Despite of the quasi-two-dimensional lattice structure, both $\chi$ and $C_{\text{P}}$ present three dimensional magnetic long-range order below the N\'eel temperature $T_{\text{N}}$ = 5.2 K. Neutron diffraction data shows a collinear $Q_{m}$ = (1,0,0.5) antiferromagnetic (AFM) structure with the in-plane ordered magnetic moment suppressed by 26% below $T_{\text{N}}$. Both the AFM structure and the suppressed moments are well explained by the Monte Carlo simulation with a large single-ion ab-plane anisotropy $D$ = 1.4 meV and a rather small in-plane Heisenberg exchange $J_{\text{intra}}$ = 0.15 meV. The characteristic two dimensional spin fluctuations can be recognized in the magnetic entropy release and diffuse scattering above $T_{\text{N}}$. This new quasi-2D magnetic system also displays unusual non-monotonic dependence of the $T_{\text{N}}$ as a function of magnetic field $H$., Comment: 23 pages

Diagnostic accuracy studies assess sensitivity and specificity of a new index test in relation to an established comparator or the reference standard. The development and selection of the index test is usually assumed to be conducted prior to the accuracy study. In practice, this is often violated, for instance if the choice of the (apparently) best biomarker, model or cutpoint is based on the same data that is used later for validation purposes. In this work, we investigate several multiple comparison procedures which provide family-wise error rate control for the emerging multiple testing problem. Due to the nature of the co-primary hypothesis problem, conventional approaches for multiplicity adjustment are too conservative for the specific problem and thus need to be adapted. In an extensive simulation study, five multiple comparison procedures are compared with regards to statistical error rates in least-favorable and realistic scenarios. This covers parametric and nonparamtric methods and one Bayesian approach. All methods have been implemented in the new open-source R package DTAmc which allows to reproduce all simulation results. Based on our numerical results, we conclude that the parametric approaches (maxT, Bonferroni) are easy to apply but can have inflated type I error rates for small sample sizes. The two investigated Bootstrap procedures, in particular the so-called pairs Bootstrap, allow for a family-wise error rate control in finite samples and in addition have a competitive statistical power., Comment: v1: 13 pages, 3 figures; v2: 15 pages, 4 figures, added a real-world data example (incl. figure), new design for some figures, fixed minor errors, overall (simulation) results remain unchanged; v3: added high dpi figures and a few minor fixes compared to v2

The heterostructure consisting of the Mott insulator LaVO$_3$ and the band insulator SrTiO$_3$ is considered a promising candidate for future photovoltaic applications. Not only does the (direct) excitation gap of LaVO$_3$ match well the solar spectrum, but its correlated nature and predicted built-in potential, owing to the non-polar/polar interface when integrated with SrTiO$_3$, also offer remarkable advantages over conventional solar cells. However, experimental data beyond the observation of a thickness-dependent metal-insulator transition is scarce and a profound, microscopic understanding of the electronic properties is still lacking. By means of soft and hard X-ray photoemission spectroscopy as well as resistivity and Hall effect measurements we study the electrical properties, band bending, and band alignment of LaVO$_3$/SrTiO$_3$ heterostructures. We find a critical LaVO$_3$ thickness of five unit cells, confinement of the conducting electrons to exclusively Ti 3$d$ states at the interface, and a potential gradient in the film. From these findings we conclude on electronic reconstruction as the driving mechanism for the formation of the metallic interface in LaVO$_3$/SrTiO$_3$., Comment: 13 pages, 12 figures

A toroidal dipole moment appears independent of the electric and magnetic dipole moment in the multipole expansion of electrodynamics. It arises naturally from vortex-like arrangements of spins. Observing and controlling spontaneous long-range orders of toroidal moments are highly promising for spintronics but remain challenging. Here we demonstrate that a vortex-like spin configuration with a staggered arrangement of toroidal moments, a ferritoroidal state, is realized in a chiral triangular-lattice magnet BaCoSiO4. Upon applying a magnetic field, we observe multi-stair toroidal transitions correlating directly with metamagnetic transitions. We establish a first-principles microscopic Hamiltonian that explains both the formation of toroidal states and the metamagnetic toroidal transition as a combined effect of the magnetic frustration and the Dzyaloshinskii-Moriya interactions allowed by the crystallographic chirality in BaCoSiO4.

The magnetic properties of the two isostructural molecule-based magnets, Ni(NCS)$_{2}$(thiourea)$_{2}$, $S$ = 1, [thiourea = SC(NH$_2$)$_2$] and Co(NCS)$_{2}$(thiourea)$_{2}$, $S$ = 3/2, are characterised using several techniques in order to rationalise their relationship with structural parameters and ascertain magnetic changes caused by substitution of the spin. Zero-field heat capacity and muon-spin relaxation measurements reveal low-temperature long-range ordering in both compounds, in addition to Ising-like ($D < 0$) single-ion anisotropy ($D_{\rm{Co}} \sim$ -100 K, $D_{\rm{Ni}} \sim$ -10 K). Crystal and electronic structure, combined with DC-field magnetometry, affirm highly quasi-one-dimensional behaviour, with ferromagnetic intrachain exchange interactions $J_{\rm{Co}}\approx+4$ K and $J_{\rm{Ni}}\sim+100$ K and weak antiferromagnetic interchain exchange, on the order of $J'$ $\sim-0.1$ K. Electron charge and spin-density mapping reveals through-space exchange as a mechanism to explain the large discrepancy in $J$-values despite, from a structural perspective, the highly similar exchange pathways in both materials. Both species can be compared to the similar compounds $M$Cl$_2$(thiourea)$_4$, $M$ = Ni(II) (DTN) and Co(II) (DTC), where DTN is know to harbour two magnetic field-induced quantum critical points. Direct comparison of DTN and DTC with the compounds studied here shows that substituting the halide Cl$^-$ ion, for the NCS$^-$ ion, results in a dramatic change in both the structural and magnetic properties., Comment: Main text: 13 pages - 11 figures, 2 tables. Supplemental information: 6 pages - 2 figures, 6 tables

The manipulation of mesoscale domain wall phenomena has emerged as a powerful strategy for designing ferroelectric responses in functional devices, but its full potential has not yet been realized in the field of magnetism. We show that mechanically strained samples of Mn$_3$O$_4$ and MnV$_2$O$_4$ exhibit a stripe-like patterning of the bulk magnetization below known magnetostructural transitions, similar to the structural domains reported in ferroelectric materials. Building off our previous magnetic force microscopy data, we use small angle neutron scattering to show that these patterns extend to the bulk, and demonstrate an ability to manipulate the domain walls via applied magnetic field and mechanical stress. We then connect these domains back to the anomalously large magnetoelastic and magnetodielectric response functions reported in these materials, directly correlating local and macroscopic measurements on the same crystals., Comment: 19 pages, 13 figures

X-ray photon correlation spectroscopy (XPCS) enables us to study dynamics of antiferromagnets. Using coherent soft X-ray diffraction, we resonantly probe Mn and Co Bragg peaks in the frustrated magnetic chain compound Lu2CoMnO6 significantly below the Neel temperature. Bragg peaks of incommensurate order slide towards commensurate 'up up down down' order with decreasing temperature. Antiferromagnetic inhomogeneities produce speckle within the Bragg peaks, whose dynamics are probed by XPCS and compared to the classic Axial Next-Nearest Neighbor Interaction model of frustration. The data supports a novel model prediction: with decreasing temperature the dynamics become faster.

Three high-spin phases recently discovered in the spin-crossover system Mn(taa) are identified through analysis by a combination of first-principles calculations and Monte Carlo simulation as a low-temperature Jahn-Teller ordered (solid) phase, an intermediate-temperature dynamically correlated (liquid) phase, and an uncorrelated (gas) phase. In particular, the Jahn-Teller liquid phase arises from competition between mixing with low-spin impurities, which drive the disorder, and inter-molecular strain interactions. The latter are a key factor in both the spin-crossover phase transition and the magnetoelectric coupling. Jahn-Teller liquids may exist in other spin-crossover materials and materials that have multiple equivalent Jahn-Teller axes.

Major advances have been made regarding the utilization of artificial intelligence in health care. In particular, deep learning approaches have been successfully applied for automated and assisted disease diagnosis and prognosis based on complex and high-dimensional data. However, despite all justified enthusiasm, overoptimistic assessments of predictive performance are still common. Automated medical testing devices based on machine-learned prediction models should thus undergo a throughout evaluation before being implemented into clinical practice. In this work, we propose a multiple testing framework for (comparative) phase III diagnostic accuracy studies with sensitivity and specificity as co-primary endpoints. Our approach challenges the frequent recommendation to strictly separate model selection and evaluation, i.e. to only assess a single diagnostic model in the evaluation study. We show that our parametric simultaneous test procedure asymptotically allows strong control of the family-wise error rate. Moreover, we demonstrate in extensive simulation studies that our multiple testing strategy on average leads to a better final diagnostic model and increased statistical power. To plan such studies, we propose a Bayesian approach to determine the optimal number of models to evaluate. For this purpose, our algorithm optimizes the expected final model performance given previous (hold-out) data from the model development phase. We conclude that an assessment of multiple promising diagnostic models in the same evaluation study has several advantages when suitable adjustments for multiple comparisons are implemented., Comment: 32 pages, 5 figures; v2: minor linguistic revision, no content-related changes

The interplay of Kondo screening and magnetic ordering in strongly correlated materials containing local moments is a subtle problem.[1] Usually the number of conduction electrons matches or exceeds the number of moments, and a Kondo-screened heavy Fermi liquid develops at low temperatures.[2] Changing the pressure, magnetic field, or chemical doping can displace this heavy Fermi liquid in favor of a magnetically ordered state.[3,4] Here we report the discovery of a version of such a `Kondo lattice' material, YbIr$_3$Si$_7$, in which the number of free charge carriers is much less than the number of local moments. This leads to `Kondo exhaustion':[5] the electrical conductivity tends to zero at low temperatures as all the free carriers are consumed in the formation of Kondo singlets. This effect coexists with antiferromagnetic long-range order, with a N\'eel temperature $T\rm_N = 4.1\,{\rm K}$. Furthermore, the material shows conductive surface states with potential topological nature, and thus presents an exciting topic for future investigations.

While 3$d$-containing materials display strong electron correlations, narrow band widths, and robust magnetism, 5$d$ systems are recognized for strong spin-orbit coupling, increased hybridization, and more diffuse orbitals. Combining these properties leads to novel behavior. Sr$_3$NiIrO$_6$, for example, displays complex magnetism and ultra-high coercive fields - up to an incredible 55~T. Here, we combine infrared and optical spectroscopies with high-field magnetization and first principles calculations to explore the fundamental excitations of the lattice and related coupling processes including spin-lattice and electron-phonon mechanisms. Magneto-infrared spectroscopy reveals spin-lattice coupling of three phonons that modulate the Ir environment to reduce the energy required to modify the spin arrangement. While these modes primarily affect exchange within the chains, analysis also uncovers important inter-chain motion. This provides a mechanism by which inter-chain interactions can occur in the developing model for ultra-high coercivity. At the same time, analysis of the on-site Ir$^{4+}$ excitations reveals vibronic coupling and extremely large crystal field parameters that lead to a t$_{2g}$-derived low-spin state for Ir. These findings highlight the spin-charge-lattice entanglement in Sr$_3$NiIrO$_6$ and suggest that similar interactions may take place in other 3$d$/5$d$ hybrids.

In the Solar System, extra-terrestrial organic molecules have been found on cometary primitive objects, on Titan and Enceladus icy moons and on Mars. Identification could be achieved for simple organic species by remote sensing based on spectroscopic methods. However in situ mass spectrometry is a key technology to determine the nature of more complex organic matter. A new concept of mass analyser offering ultra-high mass resolving power of more than 50,000 at m/z 56 (under high vacuum condition about 10-9 mbar) is currently being developed for space applications: the CosmOrbitrap (Briois et al., 2016), based on the OrbitrapTM technology. This work challenges the use of LAb-CosmOrbitrap, a space instrument prototype combining Laser Ablation ionisation and the CosmOrbitrap mass analyser, to identify solid organic molecules of relevance to the future space exploration. For this purpose a blind test was jointly organised by the JAXA-HRMS team (Japan Aerospace Exploration Agency-High Resolution Mass Spectrometry) and the CosmOrbitrap consortium. The JAXA team provided two organic samples, whereas the CosmOrbitrap consortium analysed them without prior information. Thanks to the high analytical performances of the prototype and our HRMS data post-processing, we successfully identified the two molecules as HOBt, hydroxybenzotriazole (C6H5N3O) and BBOT, 2,5-Bis(5-tert-butyl-benzoxazol-2-yl)thiophene (C26H26N2O2S), with a mass resolving power of, respectively, 123 540 and 69 219. The success of this blind test on complex organic molecules shows the strong potential of LAb-CosmOrbitrap for future space applications.

We present a combined experimental and theoretical study of the mineral atacamite Cu$_2$Cl(OH)$_3$. Density functional theory yields a Hamiltonian describing anisotropic sawtooth chains with weak 3D connections. Experimentally, we fully characterize the antiferromagnetically ordered state. Magnetic order shows a complex evolution with the magnetic field, while, starting at 31.5 T, we observe a plateau-like magnetization at about $M_{\rm sat}/2$. Based on complementary theoretical approaches, we show that the latter is unrelated to the known magnetization plateau of a sawtooth chain. Instead, we provide evidence that the magnetization process in atacamite is a field-driven canting of a 3D network of weakly coupled sawtooth chains that form giant moments.

The field of double perovskites is now advancing to three magnetic elements on the A, B and B$'$ sites. A series of iridium-based double perovskite compounds, $Ln_2$CoIrO$_6$ ($Ln$ = Eu, Tb, Ho) with three magnetic elements were synthesized as polycrystalline samples. The compounds crystalize in monoclinic structures with the space group $P2_1/n$. Magnetic properties of these hetero-tri-spin $3d$-$5d$-$4f$ systems were studied by magnetic susceptibility and field dependent magnetization in both DC and pulsed magnetic fields. All these compounds show ferrimagnetic transitions at temperatures $T_C$ above 100 K, which are attributable to antiferromagnetic coupling between Co$^{2+}$ and Ir$^{4+}$ spins. For Eu$_2$CoIrO$_6$, the magnetic properties are similar to those of La$_2$CoIrO$_6$. The Eu$^{3+}$ spins show Van Vleck paramagnetism that don't significantly interact with transition-metal cations. By contrast, Tb$_2$CoIrO$_6$ and Ho$_2$CoIrO$_6$ reveal a second transition to antiferromagnetic order below a lower temperature $T_N$. The temperature-induced ferrimagnetic-to-antiferromagnetic phase transition might be explained by a spin-reorientation transition. Moreover, a magnetic-field-induced spin-flop transition with a small hysteresis was observed below $T_N$ in these two compounds. The magnetic moment of all three compounds do not saturate up to 60 T at low temperatures. Moderate magnetocaloric effect was also observed in all three compounds. Our results should motivate further investigation of the spin configuration on single crystals of these iridium-based double perovskites., Comment: Accepted by Physical Review B

The layered honeycomb iridate $\alpha$-Li$_2$IrO$_3$ displays an incommensurate magnetic structure with counterrotating moments on nearest-neighbor sites, proposed to be stabilized by strongly-frustrated anisotropic Kitaev interactions between spin-orbit entangled Ir$^{4+}$ magnetic moments. Here we report powder inelastic neutron scattering measurements that observe sharply dispersive low-energy magnetic excitations centered at the magnetic ordering wavevector, attributed to Goldstone excitations of the incommensurate order, as well as an additional intense mode above a gap $\Delta\simeq2.3$ meV. Zero-field muon-spin relaxation measurements show clear oscillations in the muon polarization below the N\'{e}el temperature $T_{\rm N}\simeq15$ K with a time-dependent profile consistent with bulk incommensurate long-range magnetism. Pulsed field magnetization measurements observe that only about half the saturation magnetization value is reached at the maximum field of 64 T. A clear anomaly near 25 T indicates a transition to a phase with reduced susceptibility. The transition field has a Zeeman energy comparable to the zero-field gapped mode, suggesting gap suppression as a possible mechanism for the field-induced transition., Comment: 8 pages, 6 figures

We present a high resolution method for measuring magnetostriction in millisecond pulsed magnetic fields at cryogenic temperatures with a sensitivity of $1.11\times10^{-11}/\sqrt{\rm Hz}$. The sample is bonded to a thin piezoelectric plate, such that when the sample's length changes, it strains the piezoelectric and induces a voltage change. This method is more sensitive than a fiber-Bragg grating method. It measures two axes simultaneously instead of one. The gauge is small and versatile, functioning in DC and millisecond pulsed magnetic fields. We demonstrate its use by measuring the magnetostriction of Ca$_3$Co$_{1.03}$Mn$_{0.97}$O$_6$ single crystals in pulsed magnetic fields. By comparing our data to new and previously published results from a fiber-Bragg grating magnetostriction setup, we confirm that this method detects magnetostriction effects. We also demonstrate the small size and versatility of this technique by measuring angle dependence with respect to the applied magnetic field in a rotator probe in 65 T millisecond pulsed magnetic fields.

SmB6 is a candidate topological Kondo insulator that displays surface conduction at low temperatures. Here, we perform torque magnetization measurements as a means to detect de Haas-van Alphen (dHvA) oscillations in SmB6 crystals grown by aluminum flux. We find that dHvA oscillations occur in single crystals containing embedded aluminum, originating from the flux used to synthesize SmB6. Measurements on a sample with multiple, unconnected aluminum inclusions show that aluminum crystallizes in a preferred orientation within the SmB6 cubic lattice. The presence of aluminum is confirmed through bulk susceptibility measurements, but does not show a signature in transport measurements.

We report complex metamagnetic transitions in single crystals of the new low carrier Kondo antiferromagnet YbRh3Si7. Electrical transport, magnetization, and specific heat measurements reveal antiferromagnetic order at T_N = 7.5 K. Neutron diffraction measurements show that the magnetic ground state of YbRh3Si7 is a collinear antiferromagnet where the moments are aligned in the ab plane. With such an ordered state, no metamagnetic transitions are expected when a magnetic field is applied along the c axis. It is therefore surprising that high field magnetization, torque, and resistivity measurements with H||c reveal two metamagnetic transitions at mu_0H_1 = 6.7 T and mu_0H_2 = 21 T. When the field is tilted away from the c axis, towards the ab plane, both metamagnetic transitions are shifted to higher fields. The first metamagnetic transition leads to an abrupt increase in the electrical resistivity, while the second transition is accompanied by a dramatic reduction in the electrical resistivity. Thus, the magnetic and electronic degrees of freedom in YbRh3Si7 are strongly coupled. We discuss the origin of the anomalous metamagnetism and conclude that it is related to competition between crystal electric field anisotropy and anisotropic exchange interactions., Comment: 23 pages and 4 figures in the main text. 7 pages and 5 figures in the supplementary material

The spinel/perovskite heterointerface $\gamma$-Al$_2$O$_3$/SrTiO$_3$ hosts a two-dimensional electron system (2DES) with electron mobilities exceeding those in its all-perovskite counterpart LaAlO$_3$/SrTiO$_3$ by more than an order of magnitude despite the abundance of oxygen vacancies which act as electron donors as well as scattering sites. By means of resonant soft x-ray photoemission spectroscopy and \textit{ab initio} calculations we reveal the presence of a sharply localized type of oxygen vacancies at the very interface due to the local breaking of the perovskite symmetry. We explain the extraordinarily high mobilities by reduced scattering resulting from the preferential formation of interfacial oxygen vacancies and spatial separation of the resulting 2DES in deeper SrTiO$_3$ layers. Our findings comply with transport studies and pave the way towards defect engineering at interfaces of oxides with different crystal structures., Comment: Accepted as Rapid Communications in Physical Review B

The temperature-dependent evolution of the Kondo lattice is a long-standing topic of theoretical and experimental investigation and yet it lacks a truly microscopic description of the relation of the basic $f$-$d$ hybridization processes to the fundamental temperature scales of Kondo screening and Fermi-liquid lattice coherence. Here, the temperature-dependence of $f$-$d$ hybridized band dispersions and Fermi-energy $f$ spectral weight in the Kondo lattice system CeCoIn$_5$ is investigated using $f$-resonant angle-resolved photoemission (ARPES) with sufficient detail to allow direct comparison to first principles dynamical mean field theory (DMFT) calculations containing full realism of crystalline electric field states. The ARPES results, for two orthogonal (001) and (100) cleaved surfaces and three different $f$-$d$ hybridization scenarios, with additional microscopic insight provided by DMFT, reveal $f$ participation in the Fermi surface at temperatures much higher than the lattice coherence temperature, $T^*\approx$ 45 K, commonly believed to be the onset for such behavior. The identification of a $T$-dependent crystalline electric field degeneracy crossover in the DMFT theory $below$ $T^*$ is specifically highlighted., Comment: 10 pages, 5 figures plus supplement 11 pages, 10 figures

Electron-doped Eu(Fe$_{0.93}$Rh$_{0.07}$)$_2$As$_2$ has been systematically studied by high pressure investigations of the magnetic and electrical transport properties, in order to unravel the complex interplay of superconductivity and magnetism. The compound reveals an exceedingly broad re-entrant transition to the superconducting state between $T_{\rm{c,on}} = 19.8$ K and $T_{\rm{c,0}} = 5.2$ K due to a canted A-type antiferromagnetic ordering of the Eu$^{2+}$ moments at $T_{\rm{N}} = 16.6$ K and a re-entrant spin glass transition at $T_{\rm{SG}} = 14.1$ K. At ambient pressure evidences for the coexistence of superconductivity and ferromagnetism could be observed, as well as a magnetic-field-induced enhancement of the zero-resistance temperature $T_{\rm{c,0}}$ up to $7.2$ K with small magnetic fields applied parallel to the \textit{ab}-plane of the crystal. We attribute the field-induced-enhancement of superconductivity to the suppression of the ferromagnetic component of the Eu$^{2+}$ moments along the \textit{c}-axis, which leads to a reduction of the orbital pair breaking effect. Application of hydrostatic pressure suppresses the superconducting state around $14$ kbar along with a linear temperature dependence of the resistivity, implying that a non-Fermi liquid region is located at the boundary of the superconducting phase. At intermediate pressure, an additional feature in the resistivity curves is identified, which can be suppressed by external magnetic fields and competes with the superconducting phase. We suggest that the effect of negative pressure by the chemical Rh substitution in Eu(Fe$_{0.93}$Rh$_{0.07}$)$_2$As$_2$ is partially reversed, leading to a re-activation of the spin density wave., Comment: 11 pages, 13 figures

We report evidence for a reentrant spin glass phase in electron-doped $\text{EuFe}_2\text{As}_2$ single crystals and first traces of the superconductivity re-entrance in optics. In the close-to-optimal doped $\text{Eu}(\text{Fe}_{0.91}\text{Ir}_{0.09})_2\text{As}_2$ and $\text{Eu}(\text{Fe}_{0.93}\text{Rh}_{0.07})_2\text{As}_2$ samples two magnetic transitions are observed below the superconducting critical temperature $T_c \approx 21$~K: the canted $A$-type antiferromagnetic order of the $\text{Eu}^{2+}$ ions sets in around $17\,\text{K}$; the spin glass behavior occurs another $2\,\text{K}$ lower in temperature. In addition, strong evidence for an additional transition is found far below the spin glass temperature. Our extensive optical and magnetic investigations provide new insight into the interplay of local magnetism and superconductivity in these systems and elucidate the effect of the spin-glass phase on the reentrant superconducting state.

The magnetic ground state of the quasi-one-dimensional spin-1 antiferromagnetic chain is sensitive to the relative sizes of the single-ion anisotropy ($D$) and the intrachain ($J$) and interchain ($J'$) exchange interactions. The ratios $D/J$ and $J'/J$ dictate the material's placement in one or other of three competing phases: a Haldane gapped phase, a quantum paramagnet and an XY-ordered state, with a quantum critical point at their junction. We have identified [Ni(HF)$_2$(pyz)$_2]$SbF$_6$, where pyz = pyrazine, as a candidate in which this behavior can be explored in detail. Combining neutron scattering (elastic and inelastic) in applied magnetic fields of up to 10~tesla and magnetization measurements in fields of up to 60~tesla with numerical modeling of experimental observables, we are able to obtain accurate values of all of the parameters of the Hamiltonian [$D = 13.3(1)$~K, $J = 10.4(3)$~K and $J' = 1.4(2)$~K], despite the polycrystalline nature of the sample. Density-functional theory calculations result in similar couplings ($J = 9.2$~K, $J' = 1.8$~K) and predict that the majority of the total spin population of resides on the Ni(II) ion, while the remaining spin density is delocalized over both ligand types. The general procedures outlined in this paper permit phase boundaries and quantum-critical points to be explored in anisotropic systems for which single crystals are as yet unavailable.

We present a broadband optical-conductivity study of superconducting single-crystalline EuFe2(As1-xPx)2 with three different substitutional levels. We analyze the normal-state electrodynamics by decomposing the conductivity spectra using a Drude-Lorentz model with two Drude terms representing two groups of carriers with different scattering rates. The analysis reveals that the scattering rate of at least one of the Drude components develops linearly with temperature for each doping level. This points towards strong electron-electron correlations and a non-Fermi-liquid behavior in the P-substituted superconducting Eu-122 pnictides. We also detect a transfer of the spectral weight from mid-infrared to higher frequencies and assign it to the Hund's-rule coupling between itinerant and localized carriers. The conductivity spectra below the superconducting transition show no sharp features to be associated with the dirty-limit superconducting BCS gaps. We interpret these results in terms of clean-limit superconductivity in EuFe2(As1-xPx)2. The best parametrization fit can be achieved using a two-gap model. We find that the larger gap at the hole pockets of the Fermi surface is likely to be isotropic, while the smaller gap at the electron pockets is anisotropic or even nodal., Comment: to be published in Physica Status Solidi B - Special Issue on Iron Pnictides

We report electric polarization and magnetization measurements in single crystals of double perovskite Lu2MnCoO6 using pulsed magnetic fields and optical second harmonic generation (SHG) in DC magnetic fields. we observe well-resolved magnetic field-induced changes in the electric polarization in single crystals and thereby resolve the question about whether multiferroic behavior is intrinsic to these materials or an extrinsic feature of polycrystals. We find electric polarization along the crystalline b-axis, that is suppressed by applying a magnetic fields along c-axis and advance a model for the origin of magnetoelectric coupling. We furthermore map the phase diagram using both capacitance and electric polarization to identify regions of ordering and regions of magnetoelectric hysteresis. This compound is a rare example of coupled hysteretic behavior in the magnetic and electric properties. The ferromagnetic-like magnetic hysteresis loop that couples to hysteretic polarization can be attributed not to ordinary ferromagnetic domains, but to the rich physics of magnetic frustration of Ising-like spins in the axial next-nearest neighbor interaction model., Comment: 5 pages, 5 figures

In a comprehensive study, we investigate the electronic scattering effects in EuFe$_{2}$(As$_{1-x}$P$_{x}$)$_{2}$ by using Fourier-transform infrared spectroscopy. In spite of the fact that Eu$^{2+}$ local moments order around $T_\text{Eu} \approx 20$\,K, the overall optical response is strikingly similar to the one of the well-known Ba-122 pnictides. The main difference lies within the suppression of the lower spin-density-wave gap feature. By analysing our spectra with a multi-component model, we find that the high-energy feature around 0.7\,eV -- often associated with Hund's rule coupling -- is highly sensitive to the spin-density-wave ordering, this further confirms its direct relationship to the dynamics of itinerant carriers. The same model is also used to investigate the in-plane anisotropy of magnetically detwinned EuFe$_{2}$As$_{2}$ in the antiferromagnetically ordered state, yielding a higher Drude weight and lower scattering rate along the crystallographic $a$-axis. Finally, we analyse the development of the room temperature spectra with isovalent phosphor substitution and highlight changes in the scattering rate of hole-like carriers induced by a Lifshitz transition.

Consecutive proton irradiation of iron pnictides reduces the superconducting transition temperature to decrease monotonically. Our systematic optical THz investigations of Ba(Fe$_{0.9}$Co$_{0.1}$)$_2$As$_2$ thin films reveal, however, that the low-energy superconducting gap is first suppressed, but recovers for higher irradiation doses. At the same time the decrease of the superfluid density with disorder comes to a halt. These observations are in excellent agreement with theoretical calculations, which predict a disorder-induced transition of the order parameter from $s_{\pm}$ to $s_{++}$ symmetry. Thereby we solve the longstanding puzzle of the iron pnictides gap symmetry in favor of $s_{\pm}$-symmetry and demonstrate THz spectroscopy as a tool to determine the symmetry of the superconducting order parameter.

We report the discovery of a metamagnetic phase transition in a polar antiferromagnet Ni$_3$TeO$_6$ that occurs at 52 T. The new phase transition accompanies a colossal magnetoelectric effect, with a magnetic-field-induced polarization change of 0.3 $\mu$C/cm$^2$, a value that is 4 times larger than for the spin-flop transition at 9 T in the same material, and also comparable to the largest magnetically-induced polarization changes observed to date. Via density-functional calculations we construct a full microscopic model that describes the data. We model the spin structures in all fields and clarify the physics behind the 52 T transition. The high-field transition involves a competition between multiple different exchange interactions which drives the polarization change through the exchange-striction mechanism. The resultant spin structure is rather counter-intuitive and complex, thus providing new insights on design principles for materials with strong magnetoelectric coupling.

The layered honeycomb magnet alpha-RuCl3 has been proposed as a candidate to realize a Kitaev spin model with strongly frustrated, bond-dependent, anisotropic interactions between spin-orbit entangled jeff=1/2 Ru4+ magnetic moments. Here we report a detailed study of the three-dimensional crystal structure using x-ray diffraction on untwinned crystals combined with structural relaxation calculations. We consider several models for the stacking of honeycomb layers and find evidence for a crystal structure with a monoclinic unit cell corresponding to a stacking of layers with a unidirectional in-plane offset, with occasional in-plane sliding stacking faults, in contrast with the currently-assumed trigonal 3-layer stacking periodicity. We report electronic band structure calculations for the monoclinic structure, which find support for the applicability of the jeff=1/2 picture once spin orbit coupling and electron correlations are included. We propose that differences in the magnitude of anisotropic exchange along symmetry inequivalent bonds in the monoclinic cell could provide a natural mechanism to explain the spin gap observed in powder inelastic neutron scattering, in contrast to spin models based on the three-fold symmetric trigonal structure, which predict a gapless spectrum within linear spin wave theory. Our susceptibility measurements on both powders and stacked crystals, as well as neutron powder diffraction show a single magnetic transition at TN ~ 13K. The analysis of the neutron data provides evidence for zigzag magnetic order in the honeycomb layers with an antiferromagnetic stacking between layers. Magnetization measurements on stacked single crystals in pulsed field up to 60T show a single transition around 8T for in-plane fields followed by a gradual, asymptotic approach to magnetization saturation, as characteristic of strongly anisotropic exchange interactions., Comment: 13 pages, 9 figures, published in Physical Review B

We investigate partially disordered antiferromagnetism in CoCl$_2$-2SC(NH$_2$)$_2$, in which a-b plane hexagonal layers are staggered along the c-axis, rather than stacked. A robust 1/3 state forms in applied magnetic fields which the spins are locked, varying neither as a function of temperature nor field. By contrast, in zero field, partial antiferromagnetic order occurs, in which free spins are available to create a Curie-like magnetic susceptibility. We report measurements of the crystallographic structure, and the specific heat, magnetization, and electric polarization down to $T$ = 50 mK and up to $\mu_{0}H$ = 60 T. The Co$^{2+}$ $S = 3/2$ spins are Ising-like and form distorted hexagonal layers. The Ising energy scale is well separated from the magnetic exchange, and both energy scales are accessible to the measurements allowing us to cleanly parameterize them. In transverse fields, a quantum Ising phase transition can be observed at 2 T. Finally we find that magnetic exchange striction induces changes in the electric polarization up to 3 $\mu$C/m$^2$ and single-ion magnetic anisotropy effects induce a much a larger electric polarization change of 300 $\mu$C/m$^2$.

In this paper, we show that every regular singular $\mathscr{D}$-module in $\mathbb{C}^n$ whose singular locus is a normal crossing is isomorphic to a quiver $\mathscr{D}$-module - a $\mathscr{D}$-module whose definition is based on certain representations of the hypercube quiver. To be more precise we give an equivalence of the respective categories. Our definition of quiver $\mathscr{D}$-modules is based on the one of Khoroshkin and Varchenko. To prove the equivalence, we use an equivalence by Galligo, Granger and Maisonobe for regular singular $\mathscr{D}$-modules whose singular locus is a normal crossing which involves the classical Riemann-Hilbert correspondence., Comment: 24 pages