Theoretical and experimental study of the structural stability of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>TbPO</mml:mtext></mml:mrow><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>at high pressures

López-Solano, J.; Rodríguez‐Hernández, P.; Múñoz, A.; Gomis, O.; Santamarı́a-Pérez, D.; Errandonea, Daniel; Manjón, F. J.; Kumar, Ravhi S.; Stavrou, Elissaios; Raptis, Constantine A.

doi:10.1103/physrevb.81.144126

Cited by 49 publications

(48 citation statements)

References 43 publications

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“…From Figure 4 it can be seen that a-and b-axis decrease with pressure while the c-axis increases with pressure. A similar behavior was observed in pressure-induced monazite-structured for orthophosphates [8,9]. However, this behavior is in contrast with results in monazite-type CePO 4 and LaPO 4 [9,32].…”

Section: A High Pressure Xrdsupporting

confidence: 75%

“…Such is the case of many zircon-structured orthovanadates, like YVO 4 [39], ScVO 4 [40], YbVO 4 [41], LuVO 4 [42], and also in ScPO 4 [10]. On the other hand, those compounds whose r A /r O and r B /r O cation-to-anion ratios fall near border of the stability region of the zircon and monazite structures could crystallize in both phases, like CeVO 4 , TbPO 4 [7,8], and YPO 4 [9]. In this case, the compounds crystallizing in the zircon phase, like CeVO 4 , are prone to undergo the zircon-to-monazite phase transition.…”

Section: Discussionmentioning

confidence: 99%

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

et al. 2011

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X-ray diffraction and Raman-scattering measurements on cerium vanadate have been performed up to 12 and 16 GPa, respectively. Experiments reveal that at 5.3 GPa the onset of a pressure-induced irreversible phase transition from the zircon to the monazite structure. Beyond this pressure, diffraction peaks and Raman-active modes of the monazite phase are measured. The zircon to monazite transition in CeVO 4 is distinctive among the other rare-earth orthovanadates. We also observed softening of external translational T(E g ) and internal ν 2 (B 2g ) bending modes. We attributed it to mechanical instabilities of zircon phase against the pressure-induced distortion. We additionally report lattice-dynamical and total-energy calculations which are in agreement with the experimental results. Finally, the effect of non-hydrostatic stresses on the structural sequence is studied and the equations of state of different phases are reported.

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Section: A High Pressure Xrdsupporting

confidence: 75%

Section: Discussionmentioning

confidence: 99%

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

et al. 2011

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“…Besides, the structural change is also reflected in the packing of the coordination polyhedral units, viz normal edge To understand the distinctive behavior of CeVO 4 under compression we will benefit of crystal-chemistry arguments [27]. In particular, it will be helpful to remember that TbPO 4 also undergoes the zircon to monazite transition [34]. Rare-earth phosphates with small-lanthanide cation crystallize in the zircon structure, but those whose lanthanide cation has an ionic radius larger than Tb crystallize in the monazite structure characteristic of CePO 4 .…”

Section: Resultsmentioning

confidence: 99%

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

et al. 2011

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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.

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“…The same setup was used previously to successfully characterize the HP phases of other ABO 4 compounds in the same pressure range. 11,12 Measurements were performed in a modified Merrill-Bassett diamond-anvil cell (DAC) with diamond culets of 500 µm. BaSO 4 was loaded in a 160-µm-diameter hole of the stainlesssteel gasket preindented to a thickness of 40 µm.…”

Section: A Experimental Detailsmentioning

confidence: 99%

High-pressure study of the behavior of mineral barite by x-ray diffraction

et al. 2011

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In this paper, we report the angle-dispersive x-ray diffraction data of barite, BaSO 4 , measured in a diamond-anvil cell up to a pressure of 48 GPa, using three different fluid pressure-transmitting media (methanol-ethanol mixture, silicone oil, and He). Our results show that BaSO 4 exhibits a phase transition at pressures that range from 15 to 27 GPa, depending on the pressure media used. This indicates that nonhydrostatic stresses have a crucial role in the high-pressure behavior of this compound. The new high-pressure (HP) phase has been solved and refined from powder data, having an orthorhombic P2 1 2 1 2 1 structure. The pressure dependence of the structural parameters of both room-and HP phases of BaSO 4 is also discussed in light of our theoretical first-principles total-energy calculations. Finally, a comparison between the different equations of state obtained in our experiments is reported.

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Theoretical and experimental study of the structural stability ofTbPO4at high pressures

Cited by 49 publications

References 43 publications

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

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

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

High-pressure study of the behavior of mineral barite by x-ray diffraction

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