Solving the crystal structures of novel phases with nanoscale dimensions resulting from rapid quenching is difficult due to disorder and competing polymorphic phases. Advances in computer speed and algorithm sophistication have now made it feasible to predict the crystal structure of an unknown phase without any assumptions on the Bravais lattice type, atom basis, or unit cell dimensions, provi...

The present study used a hydrothermal technique to synthesize undoped and Mn 2+ doped CdS/Zn 3 (PO 4 ) 2 semiconducting nanocomposite materials. Powder X-ray diffraction, scanning electron microscopy, UV-Vis diffuse reflectance spectrometer, Fourier transform- Infrared Spectroscopy-FT-IR, and photoluminescence techniques were employed to study structural, optical, and luminescence propertie...

The recent discovery of a distorted hexagonal phase in 1,2-dioleoyl-sn-glycero-3-phosphatidylethanolamine/1,2-dioleoyl-sn-glycero-3-phosphatidylcholine (DOPE/DOPC) mixtures raised the intriguing question as to whether lipid mixtures demix in a bent monolayer. We performed neutron diffraction on a mixture of headgroup deuterated DOPC-d(13) and nondeuterated DOPE to study the lipid distribution i...

the cluster representation matrices have already been successfully used to enumerate close-packed vacancy clusters in all single-lattice crystals [i, 2]. point defect clusters in double-lattice crystals may have identical geometry but are distinct due to unique atomic postions enclosing them. the method of representation matrices is extended to make it applicable to represent and enumerate the ...

The cluster representation matrices have already been successfully used to enumerate close-packed vacancy clusters in all single-lattice crystals [I, 2]. Point defect clusters in double-lattice crystals may have identical geometry but are distinct due to unique atomic postions enclosing them. The method of representation matrices is extended to make it applicable to represent and enumerate ...

Using a first-principles calculation, we have computed the charge density for states near EF that is related to the current density observable in scanning-tunneling-microscopy experiments for surfaces of hexagonal, rhombohedral, and a model stage-l intercalated graphite. In hexagonal and rhombohedral graphite, the tunneling current is predicted to be considerably smaller at surface atomic sites...

The lattice location of rare earth Er in single-crystalline hexagonal ZnO was studied by means of the emission channeling technique. Following 60-keV room-temperature implantation of the precursor isotope Tm at doses of 1.3−2.8×10 cm and annealing up to 900°C, the angular distribution of conversion electrons emitted by the radioactive isotope Er was measured by a position-sensitive electron det...

The development of a twinned microstructure in hexagonal close-packed rolled magnesium compressed in the in-plane direction has been monitored in situ with neutron diffraction. The continuous conversion of the parent to daughter microstructure is tracked through the variation of diffraction peak intensities corresponding to each. Approximately 80% of the parent microstructure twins by 8% compre...