Large dynamic scissoring mode displacements coupled to band gap opening in the cubic phase of the methylammonium lead halide perovskites.

Hybrid perovskites are a rapidly growing research area, having reached photovoltaic power conversion efficiencies of over 25%. There is a increasing consensus that the structures of these materials, and hence their electronic structures, cannot be understood purely from the time and space averaged crystal structures observable by conventional methods. We apply a symmetry-motivated analysis method to analyse x-ray pair distribution function data of the cubic phases of the hybrid perovskites MAPbX3(X= I, Br, Cl). We demonstrate that, even in the cubic phase, the local structure of the inorganic components of MAPbX3(X= I, Br, Cl), are dominated by scissoring type deformations of the PbX6octahedra. We find these modes to have a larger amplitude than equivalent distortions in theA-site deficient perovskite ScF3and demonstrate that they show a significant departure from the harmonic approximation. Calculations performed on an inorganic perovskite analogue, FrPbBr3, show that the large amplitudes of the scissoring modes are coupled to a dynamic opening of the electronic band gap. Finally, we use density functional theory calculations to show that the organic MA cations reorientate to accommodate the large amplitude scissoring modes.

Alignment facility and software for single-crystal time-of-flight neutron spectroscopy.

An instrument and software algorithm are described for the purpose of characterization of large single crystals at the Alignment Facility of the ISIS spallation neutron source. A method for both characterizing the quality of the sample and aligning it in a particular scattering plane is introduced. A software package written for this instrument is presented, and its utility is demonstrated by way of an example of the structural characterization of large single crystals of Pb(Mg1/3Nb2/3)O3. Extensions and modifications of characterization instruments for future improved beamlines are suggested. It is hoped that this software will be used by the neutron community for pre-characterizing large single crystals for spectroscopy experiments and that in the future such a facility will be included as part of the spectroscopy suite at other spallation neutron sources.

Manipulating surface magnetic order in iron telluride.

Control of emergent magnetic orders in correlated electron materials promises new opportunities for applications in spintronics. For their technological exploitation, it is important to understand the role of surfaces and interfaces to other materials and their impact on the emergent magnetic orders. Here, we demonstrate for iron telluride, the nonsuperconducting parent compound of the iron chalcogenide superconductors, determination and manipulation of the surface magnetic structure by low-temperature spin-polarized scanning tunneling microscopy. Iron telluride exhibits a complex structural and magnetic phase diagram as a function of interstitial iron concentration. Several theories have been put forward to explain the different magnetic orders observed in the phase diagram, which ascribe a dominant role either to interactions mediated by itinerant electrons or to local moment interactions. Through the controlled removal of surface excess iron, we can separate the influence of the excess iron from that of the change in the lattice structure.

Spin Fluctuations from Hertz to Terahertz on a Triangular Lattice.

The temporal magnetic correlations of the triangular-lattice antiferromagnet NiGa_{2}S_{4} are examined through 13 decades (10^{-13}-1 sec) using ultrahigh-resolution inelastic neutron scattering, muon spin relaxation, and ac and nonlinear susceptibility measurements. Unlike the short-ranged spatial correlations, the temperature dependence of the temporal correlations show distinct anomalies. The spin fluctuation rate decreases precipitously upon cooling towards T^{*}=8.5 K, but fluctuations on the microsecond time scale then persist in an anomalous dynamical regime for 4 K

A laboratory-based Laue X-ray diffraction system for enhanced imaging range and surface grain mapping.

Although CCD X-ray detectors can be faster to use, their large-area versions can be much more expensive than similarly sized photographic plate detectors. When indexing X-ray diffraction patterns, large-area detectors can prove very advantageous as they provide more spots, which makes fitting an orientation easier. On the other hand, when looking for single crystals in a polycrystalline sample, the speed of CCD detectors is more useful. A new setup is described here which overcomes some of the limitations of limited-range CCD detectors to make them more useful for indexing, whilst at the same time making it much quicker to find single crystals within a larger polycrystalline structure. This was done by combining a CCD detector with a six-axis goniometer, allowing the compilation of images from different angles into a wide-angled image. Automated scans along the sample were coupled with image processing techniques to produce grain maps, which can then be used to provide a strategy to extract single crystals from a polycrystal.

Coupled commensurate cation and charge modulation in the tunneled structure, Na(0.40(2))MnO(2).

Na(0.40(2))MnO(2) belongs to a family of mixed Mn(3+) and Mn(4+) porous oxides that contains both octahedral and square pyramidal Mn-O units. Neutron and synchrotron radiation studies identify the presence of both sodium ordering (T(Na) ≈ 310 K) and Mn charge and orbital ordering. Below T(Na), the centrosymmetric Pbam structure adopts an (ab 4c) supercell of Pnnm symmetry that accommodates a coupled commensurate modulation down the c-axis channels of both Na position and occupancy with Mn valence.

ADAMTS-9 expression is up-regulated following transient middle cerebral artery occlusion (tMCAo) in the rat.

The ADAMTS enzymes (a disintegrin and metalloproteinase with thrombospondin type 1-like motifs) have important roles in central nervous system (CNS) physiology and pathology. This current study aimed to analyse the expression of ADAMTS-9 following transient middle cerebral artery occlusion (tMCAo) in the rat, a model of focal cerebral ischaemia. Using real-time RT-PCR, ADAMTS-9 mRNA was demonstrated to be significantly up-regulated in tMCAo brain tissue compared to sham-operated at 24h post-ischaemia. The mature form of the ADAMTS-9 protein was only detected by Western blotting in brains subjected to tMCAo at 24h. In situ hybridisation demonstrated that ADAMTS-9 mRNA was expressed by neurones in tMCAo tissue. This study indicates that ADAMTS-9 expression is modulated in response to cerebral ischaemia in vivo and further research will resolve whether it plays a role in the subsequent degenerative or repair processes.