Room temperature single-crystal diffuse scattering andab initiolattice dynamics in CaTiSiO5
نویسندگان
چکیده
منابع مشابه
Room temperature single-crystal diffuse scattering and ab initio lattice dynamics in CaTiSiO5.
Single-crystal diffuse scattering data have been collected at room temperature on synthetic titanite using both neutrons and high-energy x-rays. A simple ball-and-springs model reproduces the observed diffuse scattering well, confirming its origin to be primarily due to thermal motion of the atoms. Ab initio phonons are calculated using density-functional perturbation theory and are shown to re...
متن کاملSingle-crystal diffuse scattering studies on polymorphs of molecular crystals. I. The room-temperature polymorphs of the drug benzocaine.
The drug benzocaine (ethyl 4-aminobenzoate), commonly used as a local anaesthetic, is a bimorphic solid at room temperature. Form (I) is monoclinic P2(1)/c, while the metastable form (II) is orthorhombic P2(1)2(1)2(1). Three-dimensional diffuse X-ray scattering data have been collected for the two forms on the 11-ID-B beamline at the Advanced Photon Source (APS). Both forms show strong and high...
متن کاملMonte Carlo Modelling of Single-Crystal Diffuse Scattering from Intermetallics
Single-crystal diffuse scattering (SCDS) reveals detailed structural insights into materials. In particular, it is sensitive to two-body correlations, whereas traditional Bragg peak-based methods are sensitive to single-body correlations. This means that diffuse scattering is sensitive to ordering that persists for just a few unit cells: nanoscale order, sometimes referred to as “local structur...
متن کاملSingle-Molecule Spectroscopy and Dynamics at Room Temperature
Chemists are used to visualizing molecular properties and chemical changes on a single-molecule basis. Holding a molecular model, we can predict the forces with surrounding molecules and conceive a chemical reaction. In contrast, information regarding molecular interactions and chemical dynamics has been primarily derived from experiments conducted on large ensembles of molecules. Although ense...
متن کاملTemperature dependence of diffuse scattering in PZN
Structural disorder appears to relate to the useful physical properties of ferroelectrics and relaxors. One such material is PZN, PbZn1/3Nb2/3O3. To explore what aspects of the disorder are specific to the polarised state, the temperature dependence of diffuse scattering in PZN has been investigated. Data were collected using both neutron and X-ray single crystal experiments in a range of tempe...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Physics: Condensed Matter
سال: 2013
ISSN: 0953-8984,1361-648X
DOI: 10.1088/0953-8984/25/31/315402