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Correlating electromechanical and dielectric properties with nanometre-scale order is the defining challenge for the development of piezoelectric oxides. Current lead (Pb)-based relaxor ferroelectrics can serve as model systems with which to unravel these correlations, but the nature of the local order and its relation to material properties remains controversial. Here we employ recent advances in diffuse scattering instrumentation to investigate crystals that span the phase diagram of PbMg1/3Nb2/3O3-xPbTiO3 (PMN-xPT) and identify four forms of local order. From the compositional dependence, we resolve the coupling of each form to the dielectric and electromechanical properties observed. We show that relaxor behaviour does not correlate simply with ferroic diffuse scattering; instead, it results from a competition between local antiferroelectric correlations, seeded by chemical short-range order, and local ferroic order. The ferroic diffuse scattering is strongest where piezoelectricity is maximal and displays previously unrecognized modulations caused by anion displacements. Our observations provide new guidelines for evaluating displacive models and hence the piezoelectric properties of environmentally friendly next-generation materials.

A charge-density wave (CDW) state has a broken symmetry described by a complex order parameter with an amplitude and a phase. The conventional view, based on clean, weak-coupling systems, is that a finite amplitude and long-range phase coherence set in simultaneously at the CDW transition temperature T cdw . Here we investigate, using photoemission, X-ray scattering and scanning tunnelling microscopy, the canonical CDW compound 2 H -NbSe 2 intercalated with Mn and Co, and show that the conventional view is untenable. We find that, either at high temperature or at large intercalation, CDW order becomes short-ranged with a well-defined amplitude, which has impacts on the electronic dispersion, giving rise to an energy gap. The phase transition at T cdw marks the onset of long-range order with global phase coherence, leading to sharp electronic excitations. Our observations emphasize the importance of phase fluctuations in strongly coupled CDW systems and provide insights into the significance of phase incoherence in ‘pseudogap’ states. Charge density waves are described by a complex order parameter whose amplitude is expected to vanish at the transition temperature. This study shows that the transition in 2 H -NbSe 2 is driven by fluctuations of the phase of the order parameter, with a finite amplitude surviving in the disordered state.

A fine resolution chopper spectrometer (SEQUOIA) recently received first neutrons at the SNS. The commissioning phase of the instrument is underway. SEQUOIA is designed to utilize neutrons of an incident energy (Ei) between 10-2000 meV. A monochromatic beam is provided on a sample, 20 m from the decoupled ambient temperature H2O moderator, by filtering the white beam with a Fermi chopper located 18 m from the source. After interacting with the sample, neutrons are detected by an array of 3He linear position sensitive tubes located on a vertical cylinder with a radius of 5.5 m. This contribution presents current results from the commissioning experiments and compares SEQUOIA's actual and predicted performance. These commissioning experiments include characterization of the beam by monitors, determination of the chopper phase offsets, and runs with V and C4H2I2S. The predicted performance is provided by analytical calculations and Monte Carlo simulations.

Integrated computational materials engineering (ICME) provides a pathway to advance performance in structures through the use of physically-based models to better understand how manufacturing processes influence product performance. As one particular challenge, consider that residual stresses induced in fabrication are pervasive and directly impact the life of structures. For ICME to be an effective strategy, it is essential that predictive capability be developed in conjunction with critical experiments. In the present work, simulation results from a multi-physics model for gas metal arc welding are evaluated through x-ray diffraction using synchrotron radiation. A test component was designed with intent to develop significant gradients in residual stress, be representative of real-world engineering application, yet remain tractable for finely spaced strain measurements with positioning equipment available at synchrotron facilities. The experimental validation lends confidence to model predictions, facilitating the explicit consideration of residual stress distribution in prediction of fatigue life.

In RuCl3, inelastic neutron scattering and Raman spectroscopy reveal a continuum of non-spin-wave excitations that persists to high temperature, suggesting the presence of a spin liquid state on a honeycomb lattice. In the context of the Kitaev model, finite magnetic fields introduce interactions between the elementary excitations, and thus the effects of high magnetic fields that are comparable to the spin-exchange energy scale must be explored. Here, we report measurements of the magnetotropic coefficient—the thermodynamic coefficient associated with magnetic anisotropy—over a wide range of magnetic fields and temperatures. We find that magnetic field and temperature compete to determine the magnetic response in a way that is independent of the large intrinsic exchange-interaction energy. This emergent scale-invariant magnetic anisotropy provides evidence for a high degree of exchange frustration that favours the formation of a spin liquid state in RuCl3.Scale-invariant magnetic anisotropy in RuCl3 has been revealed through measurements of its magnetotropic coefficient, providing evidence for a high degree of exchange frustration that favours the formation of a spin liquid state.

A charge-density wave (CDW) state has a broken symmetry described by a complex order parameter with an amplitude and a phase. The conventional view, based on clean, weak-coupling systems, is that a finite amplitude and long-range phase coherence set in simultaneously at the CDW transition temperature T-cdw. Here we investigate, using photoemission, X-ray scattering and scanning tunnelling microscopy, the canonical CDW compound 2H-NbSe2 intercalated with Mn and Co, and show that the conventional view is untenable. We find that, either at high temperature or at large intercalation, CDW order becomes short-ranged with a well-defined amplitude, which has impacts on the electronic dispersion, giving rise to an energy gap. The phase transition at T-cdw marks the onset of long-range order with global phase coherence, leading to sharp electronic excitations. Our observations emphasize the importance of phase fluctuations in strongly coupled CDW systems and provide insights into the significance of phase incoherence in 'pseudogap' states.

We report on performance of chemical vapor deposited (CVD) single crystal diamond plates as side bounce monochromators for high photon energies (\\(\\gtrsim\\)~20 keV) in the Laue geometry. Several crystals were tested in-operando high-heat-load conditions at A1 undulator station of Cornell High Energy Synchrotron Source. Up to 10\\(\\times\\) enhancement in the reflected x-ray flux was observed compared to that delivered by IIa diamond plates grown by high-pressure high-temperature method. Wavefront distortions were measured using analyzer-based x-ray diffraction imaging. Focusing of a portion of the reflected beam was demonstrated using Pt-coated mono capillary optics at a photon energy of 46 keV.

Trilayer nickelates, which exhibit a high degree of orbital polarization combined with an electron count (d8.67) corresponding to overdoped cuprates, have been identified as a promising candidate platform for achieving high-Tc superconductivity. One such material, La4Ni3O8, undergoes a semiconductor-insulator transition at ~105 K, which was recently shown to arise from the formation of charge stripes. However, an outstanding issue has been the origin of an anomaly in the magnetic susceptibility at the transition and whether it signifies formation of spin stripes akin to single layer nickelates. Here we report single crystal neutron diffraction measurements (both polarized and unpolarized) that establish that the ground state is indeed magnetic. The ordering is modeled as antiferromagnetic spin stripes that are commensurate with the charge stripes, the magnetic ordering occurring in individual trilayers that are essentially uncorrelated along the crystallographic c-axis. Comparison of the charge and spin stripe order parameters reveals that, in contrast to single-layer nickelates such as La2-xSrxNiO4 as well as related quasi-2D oxides including manganites, cobaltates, and cuprates, these orders uniquely appear simultaneously, thus demonstrating a stronger coupling between spin and charge than in these related low-dimensional correlated oxides.

Quantum magnets with significant bond-directional Ising interactions, so-called Kitaev materials, have attracted tremendous attention recently in the search for exotic spin liquid states. Here we present a comprehensive set of measurements that enables us to investigate the crystal structures, Ir\\(^{4+}\\) single ion properties, and magnetic ground states of the double perovskite iridates La\\(_2B\\)IrO\\(_6\\) (\\(B\\) \\(=\\) Mg, Zn) and \\(A_2\\)CeIrO\\(_6\\) (\\(A\\) \\(=\\) Ba, Sr) with a large nearest neighbor distance \\(>\\) 5 Angstroms between Ir\\(^{4+}\\) ions. Our neutron powder diffraction data on Ba\\(_2\\)CeIrO\\(_6\\) can be refined in the cubic space group Fm\\(\\bar{3}\\)m, while the other three systems are characterized by weak monoclinic structural distortions. Despite the variance in the non-cubic crystal field experienced by the Ir\\(^{4+}\\) ions in these materials, X-ray absorption spectroscopy and resonant inelastic x-ray scattering are consistent with \\(J_{\\rm eff}\\) \\(=\\) 1/2 moments in all cases. Furthermore, neutron scattering and resonant magnetic x-ray scattering show that these systems host A-type antiferromagnetic order. These electronic and magnetic ground states are consistent with expectations for face-centered-cubic magnets with significant antiferromagnetic Kitaev exchange, which indicates that spacing magnetic ions far apart may be a promising design principle for uncovering additional Kitaev materials.