相关论文: First-Principles Study of InVO4 under Pressure: Ph…
The structural stability and physical properties of CrVO4 under compression were studied by X-ray diffraction, Raman spectroscopy, optical absorption, resistivity measurements, and ab initio calculations up to 10 GPa. High-pressure X-ray…
This paper reports an investigation on the phase diagram and compressibility of wolframite-type tungstates by means of x-ray powder diffraction and absorption in a diamond-anvil cell and ab initio calculations. The diffraction experiments…
In the present work, we report a detailed density functional theory calculation on polymorphic InVO$_4$ phases by means of projector augmented wave method. The computed first-order structural phase transformation from orthorhombic…
We have studied the structural behavior of bismuth phosphate under compression. We performed x-ray powder diffraction measurements up to 31.5 GPa and ab initio calculations. Experiments were carried out on different polymorphs; trigonal…
The effects of pressure on the crystal structure of the three known polymorphs of magnesium sulfate have been theoretically study by means of DFT calculations up to 45 GPa. We determined that at ambient conditions gamma MgSO4 is an unstable…
Room temperature angle-dispersive x-ray diffraction measurements on zircon-type EuVO4, LuVO4, and ScVO4 were performed up to 27 GPa. In the three compounds we found evidence of a pressure-induced structural phase transformation from zircon…
Raman scattering measurements and lattice-dynamics calculations have been performed on magnesium tungstate under high pressure up to 41 GPa. Experiments have been carried out under a selection of different pressure-media. The influence of…
We study the effects of pressure on the structural, vibrational, and magnetic behavior of cuproscheelite. We performed powder x-ray diffraction and Raman spectroscopy experiments up to 27 GPa as well as ab initio total-energy and…
We report a high-pressure study of tetragonal scheelite-type CaMoO4 up to 29 GPa. In order to characterize its high-pressure behavior, we have combined Raman and optical-absorption measurements with density-functional theory calculations.…
The multiferroic manganese tungstate (MnWO4) has been studied by high-pressure Raman spectroscopy at room temperature under quasi-hydrostatic conditions up to 39.3 GPa. The low-pressure wolframite phase undergoes a phase transition at 25.7…
The optical absorption of CdWO$_4$ is reported at high pressures up to 23 GPa. The onset of a phase transition was detected at 19.5 GPa, in good agreement with a previous Raman spectroscopy study. The crystal structure of the high-pressure…
In pursue of a systematic characterization of rare-earth vanadates under compression, in this work we present a multifaceted study of the phase behavior of zircon-type orthovanadate PrVO$_4$ under high pressure conditions, up until 24 GPa.…
High-pressure induced structural transition from zircon-type phase into scheelite-type phase in YVO$_4$ is studied using ab initio calculations. Several structures with compressed volumes are evaluated, where for every considered volume the…
We have characterized the high-pressure behavior of alpha-SnWO4. The compound has been studied up to 30 GPa using a diamond-anvil cell and synchrotron powder X-ray diffraction. We report evidence of two structural phase transitions in the…
In this paper we perform a high-pressure study of fergusonite-type HoNbO4. Powder x-ray diffraction experiments and ab initio density-functional theory simulations provide evidence of a phase transition at 18.9(1.1) GPa from the monoclinic…
The optical-absorption edge of single crystals of CaWO4, SrWO4, BaWO4, and PbWO4 has been measured under high pressure up to ~20 GPa at room temperature. From the measurements we have obtained the evolution of the band-gap energy with…
Angle-dispersive x-ray diffraction (ADXRD) and x-ray absorption near edge structure (XANES) measurements have been performed in the AWO4 tungstates CaWO4 and SrWO4 under high pressure up to approximately 20 GPa. Similar phase transitions…
AgClO4 has been studied under compression by x-ray diffraction and density functional theory calculations. Experimental evidence of a structural phase transition from the tetragonal structure of AgClO4 to an orthorhombic barite-type…
A pressure-induced phase transition, associated with an increase of the coordination number of In and Ta, is detected beyond 13 GPa in InTaO4 by combining synchrotron x-ray diffraction and Raman measurements in a diamond anvil cell with…
Room-temperature Raman scattering was measured in ZnWO4 up to 45 GPa. We report the pressure dependence of all the Raman-active phonons of the low-pressure wolframite phase. As pressure increases new Raman peaks appear at 30.6 GPa due to…