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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... -
Superstructures in lithium cobaltate
The battery material LixCoO2 has recently been shown to have high thermopower comparable to NaxCoO2 at high x. In the case of NaxCoO2 we showed using neutron Laue diffraction on... -
Short range order in triglycine sulphate above the phase transition temperature
We want to better understand the intermolecular interactions in deuterated triglycine sulphate (DTGS). DTGS is a hydrogen bonded ferroelectric with a second-order, order... -
Radiation induced hydrogen abstraction - A combined X-ray and neutron diffrac...
X-ray induced radiation damage drastically limits the structural information accessible in diffraction experiments from macromolecules at 3rd generation synchrotrons. Relatively... -
Neutron Diffraction Studies on CaCrFe3As3 compound
We propose to obtain 3 days of beam time on SXD equipped with its new top-loading CCR to analyze CaCrFe3As3 single crystals at different temperatures 10 K, 100 K and 300 K (the... -
Neutron Diffraction Studies on Yb3(GaGe)10 compound
A new compound Yb3(GaGe)10 compound was obtained from the reactions by using indium and gallium respectively as reactive metal flux. Available laboratory Xray crystallography... -
Proton dynamics in novel organic ferroelectric materials
The vast majority of known ferroelectrics are inorganic compounds such as barium titanate and potassium dihydrogen phosphate. Contrary to naïve expectation, ferroelectricity in...