Zircon to monazite phase transition in CeVO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow /><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>: X-ray diffraction and Raman-scattering measurements

Panchal, V.; López-Moreno, S.; Santamarı́a-Pérez, D.; Errandonea, Daniel; Manjón, F. J.; Rodríguez-Hernández, Placida; Múñoz, A.; Achary, S.N.; Tyagi, A. K.

doi:10.1103/physrevb.84.024111

Cited by 88 publications

(56 citation statements)

References 67 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The refined unit-cell parameters for these phases are a = 7.377(7) Å and c = 6.485(6) Å for CeVO 4 and a = 7.166(7) Å and c = 6.317(6) Å for TbVO 4 . These values are in agreement with earlier reported values [6,14].…”

Section: Methodssupporting

confidence: 94%

“…We have analyzed the volume changes using a thirdorder Birch-Murnaghan EOS [28]. The obtained EOS parameters for zircon phase are: In previous studies it has been reported that both the scheelite and monazite structures can be achieved in CeVO 4 upon compression [6,30]. In our case, in an experiment preformed under nearly hydrostatic conditions, the diffraction patterns of the HP phase can be undoubtedly assigned to the monoclinic monazite-type structure.…”

Section: Resultsmentioning

confidence: 72%

“…During the last decade, intensive investigations have been carried out on the structural evolution of the zircon-type vanadates under extreme conditions. In particular, x-ray diffraction [3 -6], optical [7,8], and Raman scattering measurements [4,6,8,9,10], and theoretical calculations [5,6,10,11] have been carried out to understand the structural modifications induced by pressure. Orthovanadates with small A cations have been observed to undergo an irreversible zircon-to-scheelite (space group: I4 1 /a, Z = 4) phase transition [3].…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

In situhigh-pressure synchrotron x-ray diffraction study of CeVO4and TbVO4up to 50 GPa

et al. 2011

Self Cite

View full text Add to dashboard Cite

Room temperature angle-dispersive x-ray diffraction measurements on zircon-type TbVO 4 and CeVO 4 were performed in a diamond-anvil cell up to 50 GPa using neon as pressure-transmitting medium. In TbVO 4 we found at 6.4 GPa evidence of a non-reversible pressure-induced structural phase transition from zircon to a scheelite-type structure. A second transition to an M-fergusonite-type structure was found at 33.9 GPa, which is reversible. Zircon-type CeVO 4 exhibits two pressureinduced transitions. First an irreversible transition to a monazite-type structure at 5.6GPa and second at 14.7 GPa a reversible transition to an orthorhombic structure. No additional phase transitions or evidences of chemical decomposition are found in the experiments. The equations of state and axial compressibility for the different phases are also determined. Finally, the sequence of structural transitions and the compressibilities are discussed in comparison with other orhtovanadates and the influence of non-hydrostaticity commented.

show abstract

Section: Methodssupporting

confidence: 94%

Section: Resultsmentioning

confidence: 72%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

In situhigh-pressure synchrotron x-ray diffraction study of CeVO4and TbVO4up to 50 GPa

et al. 2011

Self Cite

View full text Add to dashboard Cite

show abstract

“…Therefore, the pressures at which the phase transitions occur could differ a bit from those observed experimentally, as it has been reported in other compounds, where these effects are demonstrated to be relevant. 56,57 According to the H versus P diagram, at 0 K, we found that under hydrostatic conditions the phase transition driven by pressure can be summarized as follows: rutile → CaCl 2 type → distorted PdF 2 type → distorted fluorite → cotunnite, which is similar to the transitions reported in other TMF 2 compounds such as FeF 2 (Ref. 10) and MnF 2 .…”

Section: Structural Propertiessupporting

confidence: 83%

Pressure-induced phase-transition sequence in CoF2: An experimental and first-principles study on the crystal, vibrational, and electronic properties

et al. 2013

Self Cite

View full text Add to dashboard Cite

We report a complete structural study of CoF 2 under pressure. Its crystal structure and vibrational and electronic properties have been studied both theoretically and experimentally using first-principles density functional theory (DFT) methods, x-ray diffraction, x-ray absorption at Co K-edge experiments, Raman spectroscopy, and optical absorption in the 0-80 GPa range. We have determined the structural phase-transition sequence in CoF 2 and corresponding transition pressures. The results are similar to other transition-metal difluorides such as FeF 2 but different to ZnF 2 and MgF 2 , despite that the Co 2+ size (ionic radius) is similar to Zn 2+ and Mg 2+ . We found that the complete phase-transition sequence is tetragonal rutile (P 4 2 /mnm) → CaCl 2 type (orthorhombic P nnm) → distorted PdF 2 (orthorhombic P bca) + PdF 2 (cubic P a3) in coexistence → fluorite (cubic F m3m) → cotunnite (orthorhombic P nma). It was observed that the structural phase transition to the fluorite at 15 GPa involves a drastic change of coordination from sixfold octahedral to eightfold cubic with important modifications in the vibrational and electronic properties. We show that the stabilization of this high-pressure cubic phase is possible under nonhydrostatic conditions since ideal hydrostaticity would stabilize the distorted-fluorite structure (tetragonal I 4/mmm) instead. Although the first rutile → CaCl 2 -type second-order phase transition is subtle by Raman spectroscopy, it was possible to define it through the broadening of the E g Raman mode which is split in the CaCl 2 -type phase. First-principles DFT calculations are in fair agreement with the experimental Raman mode frequencies, thus providing an accurate description for all vibrational modes and elastic properties of CoF 2 as a function of pressure.

show abstract

“…A second issue that 3 deserves to be addressed is the influence of deviatoric stresses on the HP structural sequence; these stresses have been shown to considerably influence the HP structural behavior of the isomorphic HoVO 4 and CeVO 4 [14,28]. Other facts that should be explored in detail are the possible decomposition or amorphization of EuVO 4 .…”

Section: Introductionmentioning

confidence: 99%

High-pressure powder x-ray diffraction study of EuVO4

Garg

Errandonea

2015

Journal of Solid State Chemistry

Self Cite

View full text Add to dashboard Cite

Abstract:The high-pressure structural behavior of europium orthovanadate has been studied using in-situ, synchrotron based, high-pressure x-ray powder diffraction technique. Angle-dispersive x-ray diffraction measurements were carried out at room temperature up to 34.7 GPa using a diamond-anvil cell, extending the pressure range reported in previous experiments. We confirmed the occurrence of zircon-scheelite phase transition at 6.8 GPa and the coexistence of low-and high-pressure phases up to 10.1GPa. In addition, clear evidence of a scheelite-fregusonite transition is found at 23.4 GPa.

show abstract

Zircon to monazite phase transition in CeVO4: X-ray diffraction and Raman-scattering measurements

Cited by 88 publications

References 67 publications

In situhigh-pressure synchrotron x-ray diffraction study of CeVO4and TbVO4up to 50 GPa

In situhigh-pressure synchrotron x-ray diffraction study of CeVO4and TbVO4up to 50 GPa

Pressure-induced phase-transition sequence in CoF2: An experimental and first-principles study on the crystal, vibrational, and electronic properties

High-pressure powder x-ray diffraction study of EuVO4

Contact Info

Product

Resources

About