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Static/dynamic disorder, ion migration and possible ferroelectricity in the h...
Solar cells based on a layer of halide perovskite have recently seen rapid increases in efficiency, with certified values in excess of 20%. The prototypical material of this... -
Anisotropic Displacement Parameters and Diffuse Scattering in Graphite
The accurate description of van-der-Waals forces within DFT is currently one of the most active areas of research in computational physics and chemistry. In the case of soft... -
Quantum Spin Ice ground states and Structural Disorder in non-Kramers rare-ea...
Pyrochlore oxides based on non-Kramers rare-earth ions, such as Pr3+ and Tb3+, are candidate materials for the formation of the Quantum Spin Ice. However, structural disorder is... -
Investigation of the nuclear and magnetic structures of GaV4S8-ySey materials
Skyrmions, nano-sized topological objects, have recently been found in GaV4S8 and GaV4Se8materials. In the search of new Skyrmion hosting materials, we have synthesised the... -
Variable Temperature studies of an anomalous proton sponge benzoic acid co-cr...
As part of a long-running programme, we have identified many co-crystallisation systems producing hydrogen-bonded molecular complexes yielding fascinating X-ray diffraction and... -
Detailed characterisation of metastable phase fractions in ZrW2O8
Cubic alpha-ZrW2O8 is the classic example of a material exhibiting the unusual property of negative thermal expansion (NTE). Despite this effect having been discovered 20 years... -
H/D isotope effect on enamtiomers: the case of Alanine
In the current description of any molecular system based on the Schrodinger equation with a Hamiltonian accounting only for the electromagnetic forces, the structural properties... -
Crystal structure of Kondo insulator single crystal CeRu2Al9.9Si0.1
This dataset has no description
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Structural Studies of 9-methyltriptycenes
We aim at obtaining reliable structural information for selected compounds from a series of four 9-methyltripticene derivatives. These compounds form in the solid state... -
Characterisation of diffuse scattering in β-Ti GUM metal
The goal of this proposal is to measure the diffuse scattering in Beta-Ti Gum Metal. We have measured the phonon dispersion curves and have found several soft-phonon anomalies... -
Oxygen-deficient quantum spin ice
In quantum analogues of the spin ice materials quantum mechanical tunneling between ground states is expected, and exotic emergent behaviour has been predicted including a Higgs... -
Detailed structural investigations of defective fluorite single crystals
This dataset has no description
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Single-Crystal Neutron Diffraction Study on [U(C5Me5)2(H)(mu¿H)]2
To our knowledge, the length of the U¿H single bond has never been accurately measured, at least not in a molecular compound by single-crystal neutron diffraction. We currently... -
Defect structure of oxygen-deficient Yb2Zr2O6.5
Ytterbium zirconate is of fundamental interest as a model frustrated magnet, and of potential technological importance as a thermal barrier material. In both cases oxygen... -
Diffuse scattering study of single crystal PrBa2Cu3O7-x
Standard diffraction studies of PrBCO and YBCO show that these two compounds are isostructical. However, if any Pr/Ba disorder is present in PrBCO, the diffuse scattering signal... -
Atomic resolution holographic study of polycrystalline yttrium hydride
It is commonly accepted that the recording of holograms with atomic resolution requires singlecrystalline samples. Closer analysis, however, shows that the reduced information... -
Thermochromism in N-salicylideneanilines
N-salicylidineanilines are known to show thermochromic behaviour, which is currently postulated to arise from an intramolecular proton shift between the keto and enol form as... -
Do defect structures in the pyrochlore Tb2Ti2O7 control hidden order or the t...
The rare earth pyrochlores have been at the forefront of research into exotic magnetic phenomena for some years. In general they are of interest because they are frustrated -... -
Divacancy superstructures and enhanced thermopower in NaxCayCoO2
Replacing Na ions in NaxCoO2 with divalent Ca ions results in the formation of ordered arrays of divacancy clusters, rather than the trivacancy clusters found for the pure... -
Structure of Al2SiO5 polymorphs at low temperature
This dataset has no description
