33 datasets found

Eu2AuGe3 was synthesized by metal flux method. Room temperature single crystal XRD data shows that this compound crystallizes within the orthorhombic Ca2AgSi3 type structure....

We want to better understand the intermolecular interactions in deuterated triglycine sulphate (DTGS). DTGS is a hydrogen bonded ferroelectric with a second-order, order...

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...

Oil is currently the primary raw material for all the carbon containing chemicals we take for granted and which are necessary for our modern life: pharmaceuticals, plastics,...

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...

We have prepared large single crystals of the melilite electroltyes Ln1+xCaxGa3O7+d; (Ln = La and Nd; x = 0 and 0.5) using a floating zone mirror furnace. We have characterised...

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...

A major problem in physics is the identification of the mechanism of high-temperature superconductivity. Many theories purport to explain the high-Tc phenomenon. In most...

The structure of the metal guanadinium formates is analogous to perovskite; the Cu compound is of particular interest as a potential multiferroic. We have recently demonstrated...

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...

As far as we know there is no single crystal neutron study on ErPr_2Si_2 yet, mainly due to fabrication difficulties. We have grown large (diameter: 6 mm; length: 8 mm) single...

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...

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...

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...

We are performing structural investigations of a series of brownmillerites (Sr,Ca)2(Fe,Co)2O5 which display long-range modulated ordering of oxygen vacancies at ambient and high...

In the vicinity of x ~ 0.75, LixCoO2 has potential as a thermoelectric, since it has a high Seebeck coefficient and metallic conductivity. We have performed the first successful...

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...

The colossal magnetoresistance effect in manganites arises from a competition between delocalisation, which favours a ferromagnetic metallic phase, and localisation of electons...

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...

We propose to study the crystal structures of RbMnBr3, RbFeBr3 and RbNiBr3 between 300 and 0.3 K. RbMnBr3 under goes two structural phase transition by reducing Rb coordination....