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Structure investigation of natural whitlockite
This dataset has no description
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Probing the ground state magnetic structure of single crystalline Mn2V2O7
Mn2V2O7 exhibits reversible structural transition from the high temperature monoclinic phase (C2/m) to low temperature triclinic phase (P-1) near room temperature where Mn2+... -
Single Crystal Investigations of Polymorphism and Disorder in CH3NH3PbI3
Photovoltaics are one of the most promising technologies for meeting future energy requirements. CH3NH3PbI3 was first used in a solar cell in 2009, which gave an efficiency of... -
Martensite variant evolution of aged Co-Ni-Ga shape memory alloys
Pseudoelastic CoNiGa high-temperature shape memory alloys (HT-SMAs) show a wide range of tunable transformation temperatures and lower processing costs than conventional Ni-Ti-X... -
High Pressure Neutron Diffraction Study of the Organic-Inorganic Perovskite P...
The organic-inorganic perovsike (OIP) methylammonium lead iodide, MAPbI3, has been identified as a promising candidate for the development of efficient solid-state solar cells.... -
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... -
Examining the properties of water channel in an organic matrix.
The objectives are to study the interaction of water molecules held in a channel in an organic matrix. We have structurally characterised a water tetramethylpiperididine complex... -
Exploring the metal-insulator transition in Ca2RuO4
Ca2RuO4 is a fascinating compound, where strong electronic correlations give rise to many unique features. Just above room temperature (~360 K) the system is metallic, below the... -
Neutron diffuse scattering from multiferroic single crystal BiFeO3
BiFeO3 is a canonical multiferroic material. We know that local (nanoscale) order is crucial in explaining the behaviour of conventional ferroelectrics, and reciprocal space... -
Magnetic structure of noncentrosymmetric CeZnAl3
The Ce-based materials CeTX3 (T=transition metal, X= Si, Ge, Al) crystallizing in the noncentrosymmetric BaNiSn3-type structure, have been found to display a wealth of novel... -
Vibrational frequencies of light-induced photoisomers for optical data storag...
Ruthenium-based SO2 complexes present attractive prospects for next-generation 3-D optical data storage. Light is absorbed by the SO2 group, causing its dark state geometry (0)... -
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... -
Probing the ground state magnetic structure of single crystalline Ho3Fe5O12, ...
Lu and Ho counterparts of RE3Fe5O12 will be an appropriate platform to reveal the complexmagnetic ground state of rare earth iron garnets with common formula RE3Fe5O12. Lu3+... -
Structural studies of iridium hydrides
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,... -
Nature of Disorder in Relaxor-like Ferroelectric AB(HCO2)3 Frameworks
Relaxor ferroelectics are of significant interest for use as piezoelectric actuators in sensing applications and for high precision mechanical stages. Relaxors are traditionally... -
Magnetic order of multiferroic candidate: the frustrated honeycomb antiferrom...
Magnetic materials with strong spin-orbit interactions are drawing strong attention as candidates to show unusual magnetism such as quantum spin liquid stabilised by highly... -
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... -
Magnetic spin structure of EuAuBi single crystals
This dataset has no description
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Sinergic Raman and neutron diffraction measurements on SXD
This dataset has no description
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The effect of H/D isotopic replacement on the topology of the electron densit...
The Quantum Theory of Atoms in Molecules (QTAIM) is the quantum mechanical way of looking at molecular structures and bonding. Developed by Richard Bader, QTAIM is built on...
