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Single crystal diffraction as a tool for the interpretation of the phonon spe...
A reliable spectroscopic assignment of the high-frequency proton modes in CsH2PO4 (CDP) is possible only within the framework of the fully ordered proton, low-temperature P21... -
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... -
Neutron Diffraction Studies on Double-Hydrogen-Bridged Diborane(4) Compound
The object of the proposed experiment is to definitively locate hydrogen atoms on the extraordinary short B¿B bond by single crystal neutron diffraction method. Because the... -
Phonons from diffraction and normal mode analysis in HMT
With the overall aim of extending the information derivable in a neutron single crystal diffraction experiment beyond the static structure, we are proposing to perform a... -
Dy2Ti2O7 cooling to 30K wccr=-155 j:14,14
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Wide-angle neutron scattering study of the unusual nematic-nematic transition...
An intriguing unknown variant of the nematic liquid-crystal phase (Nx) has been discovered first in a class of main-chain polymers, and later in LC dimers connected via an... -
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... -
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... -
Single Crystal Neutron Diffraction Study of a photo-active pyrene derivative
The compound proposed for this study is an interesting example of how strongly spectroscopic properties of pyrene derivatives in the solid state can depend on the crystal... -
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... -
Superstructures in insulating and metallic lanthanum-doped sodium cobaltate
The thermoelectric properties of NaxCoO2 can be substantially improved by replacing Na ions by cations of higher valence. Our neutron diffraction studies on SXD for doping with... -
Complexity in simplicity: disentangling Pb2+ disorder in PbS, PbSe and PbTe
We ask for 5 days on SXD to study the detailed crystal structures of PbS, PbSe and PbTe to resolve long-standing, topical controversies about the detailed behaviour of this... -
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... -
Insight into 4-hydroxyacetophenone polymorphs from single crystal neutron dif...
Beside the lattice energy, vibrational entropy has an important contribution to polymorph stability. We have developed a new method (NoMoRe - Normal Mode Refinement), which... -
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 with a single crystal diamond
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Evaluation of a low temperature solid-solid phase transition of 4?-hydroxyace...
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The influence of hydrogen bonding on the melting points of sulfonate-based pr...
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Structure investigation of natural whitlockite
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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...
