-
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 high-Tc La(2-x)Sr(x)CuO(4+y)
Previous powder diffraction studies of the superoxygenated La(2-x)Sr(x)CuO(4+y) (LSCO+O) system have not provided a model describing the superstructures of the intercalated... -
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... -
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)... -
Determination of the low temperature Crystallographic and magnetic structures...
TlCoCl3 and Tl FeCl3 undergo structural phase transition at T1= 165K, respectively T1= 179K and T2=75 K, respectively 79 K. The unit cell stay hexagonal but the basic unitcell... -
Probing the ground state magnetic structure of single crystalline Lu3Fe5O12 a...
Lu and Yb counterparts of RE3Fe5O12 will be appropriate platform to reveal the complex magnetic ground state of rare earth iron garnets with common formula RE3Fe5O12. Lu3+ does... -
The role of hydrogen atoms in the ferroelectric transition of [NH4][Zn(HCOO)3].
This proposal aims at better understanding the role of the disordered NH4+ ions in driving the ferroelectric transition in [NH4][Zn(HCOO)3] and that of hydrogen bonding in... -
A unique borohydride bridged dimer of Ni(I)
The reaction of Ni(6-Mes)(PPh3)Br (6-Mes = bis(1,3-(2,4,6-trimethylphenyl)imidazol-2-ylidene) with 2.5 equivalents of NaBH4 leads to formation of product characterised as... -
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... -
Ab-inito lattice dynamics and thermal diffuse scattering in amino acids and p...
We propose to simultaneously collect diffuse and Bragg scattering in the amino acids L-Serine, L-Alanine, and their joint dipeptide L-Alanine-L-Serine hydrate and ask for 8 days... -
Magnetic structure of Sr2CoO2Cu2Se2
We will use single crystal neutron diffraction to determine the magnetic structure of the Co2+ moments in the layered oxide chalcogenide Sr2CoO2Cu2Se2. This will enable us to... -
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+... -
The peculiar hydrogen bonding pattern in crystalline raffinose : a multi-temp...
Raffinose is a trisaccharide with a galactose molecule attached to the glucose side of a sucrose moiety. The high similarity with sucrose implies that the presence of raffinose... -
Crystal Structure of Green Dioptase
This dataset has no description
-
Two-Dimensional Incommensurate Modulation in Melilite
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... -
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... -
Reversible B-H Bond Activation at Cationic Rh(III) Centres: Structural Charac...
Catalytic processes leading to the functionalization of organic molecules by boron-containing reagents are highly topical ¿ ranging from transition metal catalysed hydro- and... -
diffuse scattering in PMN-PT crystals
Complex mixed-ion pervoskites, ferroelectric material (1-x)Pb(Mg1/3Nb2/3)O3-xPbTiO3, attract plenty of applications due to high piezoelectric response. The difficulties result... -
The influence of hydrogen bonding on the melting points of sulfonate-based pr...
This dataset has no description
