The capabilities of the Crystal14 program are presented, and the improvements made with
respect to the previous Crystal09 version discussed. Crystal14 is an ab initio code that uses …

The interest in gallium (Ga) recovery from coal fly ash has been driven by its rapidly growing
demand for manufacturing and its extraction can facilitate the effective use of coal fly ash …

The structure of the α-quartz-type form of germanium dioxide was refined at room
temperature and up to 1344 K by the Rietveld method using time-of-flight neutron powder …

Stuffed aluminosilicate quartz solid solutions (Qss) represent the main functional component
of state-of-the-art zero-thermal-expansion glass-ceramics. For the first time, we present the …

The piezoelectric properties of α-quartz-based resonators, characterized by the mechanical
quality factor, Q, are found to degrade beginning above 300° C. This is well below the …

Using the slow-cooling method in selected MoO3-based fluxes, single-crystals of GeO2 and
GaPO4 materials with an α-quartz-like structure were grown at high temperatures (T≥ 950° …

Quartz is the most frequently used piezoelectric material. Single crystals are industrially
grown by the hydrothermal route under super-critical conditions (150 MPa-623 K). This …

We report the structural, electronic, elastic, and piezoelectric properties of some α-quartz SiO
2 isotypes, namely, AlPO 4, GaPO 4, GaAsO 4, and FePO 4. This family of crystals is well …

The structural evolution of quartz-type iron phosphate, FePO4, was studied by time-of-flight
neutron powder diffraction from 294 K up to 1073 K. The refined structural parameters of the …

Gallium orthophosphate was studied at high temperature up to 1303 K by total neutron
scattering and 1173 K by piezoelectric measurements. Rietveld refinements at 1223 K …