Abstract:Several ternary oxides with industrial applications, but also interesting for basic research, have been studied recently at room temperature under high-pressure conditions using synchrotron powder x-ray diffraction. In this article, part of these experiments will be summarized. The studied materials include zircon-type vanadates and scheelitetype tungstates as well as other oxides related to them. Several pressure-induced structural phase transitions that take place in these compounds under compression will be… Show more
“…In addition, both spectral (16:3:1 methanol/ethanol/water mixture) and electrical (without any pressure medium) results gave similar phase transition pressures, indicating that the deviatoric stresses has no effect on the structural phase transition in MgV 2 O 6 . Unlike the situation occurred in BaWO 4 that the deviatoric stresses play an important role in its structural phase transition behavior54.…”
Raman spectroscopy, synchrotron angle-dispersive X-ray diffraction (ADXRD), first-principles calculations, and electrical resistivity measurements were carried out under high pressure to investigate the structural stability and electrical transport properties of metavanadate MgV2O6. The results have revealed the coordination change of vanadium ions (from 5+1 to 6) at around 4 GPa. In addition, a pressure-induced structure transformation from the C2/m phase to the C2 phase in MgV2O6 was detected above 20 GPa, and both phases coexisted up to the highest pressure. This structural phase transition was induced by the enhanced distortions of MgO6 octahedra and VO6 octahedra under high pressure. Furthermore, the electrical resistivity decreased with pressure but exhibited different slope for these two phases, indicating that the pressure-induced structural phase transitions of MgV2O6 was also accompanied by the obvious changes in its electrical transport behavior.
“…In addition, both spectral (16:3:1 methanol/ethanol/water mixture) and electrical (without any pressure medium) results gave similar phase transition pressures, indicating that the deviatoric stresses has no effect on the structural phase transition in MgV 2 O 6 . Unlike the situation occurred in BaWO 4 that the deviatoric stresses play an important role in its structural phase transition behavior54.…”
Raman spectroscopy, synchrotron angle-dispersive X-ray diffraction (ADXRD), first-principles calculations, and electrical resistivity measurements were carried out under high pressure to investigate the structural stability and electrical transport properties of metavanadate MgV2O6. The results have revealed the coordination change of vanadium ions (from 5+1 to 6) at around 4 GPa. In addition, a pressure-induced structure transformation from the C2/m phase to the C2 phase in MgV2O6 was detected above 20 GPa, and both phases coexisted up to the highest pressure. This structural phase transition was induced by the enhanced distortions of MgO6 octahedra and VO6 octahedra under high pressure. Furthermore, the electrical resistivity decreased with pressure but exhibited different slope for these two phases, indicating that the pressure-induced structural phase transitions of MgV2O6 was also accompanied by the obvious changes in its electrical transport behavior.
“…Special caution was taken during the sample loading to avoid sample bridging between the diamond anvils [35,36]. Pressure was determined using the ruby scale [37].…”
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. We have found evidence of a pressure-induced phase transition near 15GPa. Experiments and calculations agree in assigning the high-pressure phase to a monoclinic fergusonitetype structure. The reported results are consistent with previous powder x-ray-diffraction experiments, but are in contradiction with the conclusions obtained from earlier Raman measurements, which support the existence of more than one phase transition in the pressure range covered by our studies. The observed scheelitefergusonite transition induces significant changes in the electronic band gap and phonon spectrum of CaMoO4.We have determined the pressure evolution of the band gap for the low-and high-pressure phases as well as the frequencies and pressure dependences of the Raman-active and infrared-active modes. In addition, based upon calculations of the phonon dispersion of the scheelite phase, carried out at a pressure higher than the transition pressure, we propose a possible mechanism for the reported phase transition. Furthermore, from the calculations we determined the pressure dependence of the unit-cell parameters and atomic positions of the different phases and their room-temperature equations of state. These results are compared with previous experiments showing a very good agreement. Finally, information on bond compressibility is reported and correlated with the macroscopic compressibility of CaMoO4. The reported results are of interest for the many technological applications of this oxide.
“…Research on thin films of delafossite is another interesting and widely investigated area for their potential uses in optoelectronic device fabrication [29][30][31][32]. As has been well established by the high pressure scientific community, compression is yet another way to engineer the crystal/electronic structure of materials, producing compounds with entirely different set of physical properties without altering their chemical composition [33,34]. The focus of the present article is to comprehend the high pressure studies on delafossite structured compounds till date in general, with special emphasis on their X-ray diffraction and Raman spectroscopic investigations.…”
Delafossites, with a unique combination of electrical conductivity and optical transparency constitute an important class of materials with their wide range of applications in different fields. In this article, we review the high pressure studies on copper based semiconducting delafossites with special emphasis on their structural and vibrational properties by synchrotron based powder X-ray diffraction and Raman spectroscopic measurements. Though all the investigated compounds undergo pressure induced structural phase transition, the structure of high pressure phase has been reported only for CuFeO 2 . Based on X-ray diffraction data, one of the common features observed in all the studied compounds is the anisotropic compression of cell parameters in ambient rhombohedral structure. Ambient pressure bulk modulus obtained by fitting the pressure volume data lies between 135 to 200 GPa. Two allowed Raman mode frequencies E g and A 1g are observed in all the compounds in ambient phase with splitting of E g mode at the transition except for CuCrO 2 where along with splitting of E g mode, A 1g mode disappears and a strong mode appears which softens with pressure. Observed transition pressure scales exponentially with radii of trivalent cation being lowest for CuLaO 2 and highest for CuAlO 2 . The present review will help materials researchers to have an overview of the subject and reviewed results are relevant for fundamental science as well as possessing potential technological applications in synthesis of new materials with tailored physical properties.
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