0000000001279820
AUTHOR
S.j. Patwe
Stability of FeVO4 under Pressure: An X-ray Diffraction and First-Principles Study
The high-pressure behavior of the crystalline structure FeVO4 has been studied by means of X-ray diffraction using a diamond-anvil cell and first-principles calculations. The experiments were carried out up to a pressure of 12.3 GPa, until now the highest pressure reached to study an FeVO4 compound. High-pressure X-ray diffraction measurements show that the triclinic P1 (FeVO4-I) phase remains stable up to ≈3 GPa; then a first-order phase transition to a new monoclinic polymorph of FeVO4 (FeVO4-II′) with space group C2/m is observed, having an α-MnMoO4-type structure. A second first-order phase transition is observed around 5 GPa toward the monoclinic (P2/c) wolframite-type FeVO4-IV structu…
High-pressure crystal structure, lattice vibrations, and band structure of BiSbO4
The high-pressure crystal structure, lattice-vibrations HP crystal structure, lattice vibrations, and band , and electronic band structure of BiSbO4 were studied by ab initio simulations. We also performed Raman spectroscopy, infrared spectroscopy, and diffuse-reflectance measurements, as well as synchrotron powder X-ray diffraction. High-pressure X-ray diffraction measurements show that the crystal structure of BiSbO4 remains stable up to at least 70 GPa, unlike other known MTO4-type ternary oxides. These experiments also give information on the pressure dependence of the unit-cell parameters. Calculations properly describe the crystal structure of BiSbO4 and the changes induced by pressur…