2019
DOI: 10.1134/s0020168519090085
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Fergusonite–Scheelite Phase Transition of Praseodymium Orthoniobate

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Cited by 10 publications
(8 citation statements)
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“…The observed decrease of unit cell parameters and unit cell volume with increasing Pr content stems from the lower ionic radius of Pr 3+ (CN = 8, r ion = 1.13 Å [ 72 ]) and Pr 4+ (CN = 8, r ion = 0.96 Å [ 72 ]) compared to La 3+ (CN = 8, r ion = 1.16 Å [ 72 ]) and is in line with the results obtained for terbium-doped lanthanum orthoniobate [ 7 ]. The determined values of unit cell parameters of LaNbO 4+δ and PrNbO 4+δ are consistent with previous literature reports [ 73 , 74 ]. An increase of the angle and temperature of phase transition ( ) reflects that introducing a rare earth cation with a lower ionic radius into the lanthanum sublattice stabilizes the monoclinic structure [ 75 ].…”
Section: Discussionsupporting
confidence: 92%
“…The observed decrease of unit cell parameters and unit cell volume with increasing Pr content stems from the lower ionic radius of Pr 3+ (CN = 8, r ion = 1.13 Å [ 72 ]) and Pr 4+ (CN = 8, r ion = 0.96 Å [ 72 ]) compared to La 3+ (CN = 8, r ion = 1.16 Å [ 72 ]) and is in line with the results obtained for terbium-doped lanthanum orthoniobate [ 7 ]. The determined values of unit cell parameters of LaNbO 4+δ and PrNbO 4+δ are consistent with previous literature reports [ 73 , 74 ]. An increase of the angle and temperature of phase transition ( ) reflects that introducing a rare earth cation with a lower ionic radius into the lanthanum sublattice stabilizes the monoclinic structure [ 75 ].…”
Section: Discussionsupporting
confidence: 92%
“…We find for (Sm, Pr, Y, La) NbO 4 and YNbO 4 that the monoclinic structures have lower energy than the tetragonal phase. These materials 17,18,23,35 are similar to BVO, in which the fergusonite monoclinic structures are ferroelastic and low-temperature phase. This indicates that the PBEsol functional can produce the ground state of these structures accurately.…”
Section: Pbesol and Hybrid Functionals On Othermentioning
confidence: 99%
“…The ABO 4 type ortho-niobates are generally observed to adopt the monoclinic (space group I 2/ a ) fergusonite-type structure, and the term “fergusonite” is loosely used to describe the monoclinic ABO 4 oxides . In particular, rare-earth niobates (LnNbO 4 , Ln = La–Lu) are known to undergo a reversible, pure ferroelastic phase transition from a high-temperature paraelastic, scheelite-type (tetragonal, I 4 1 / a ) to a ferroelastic, fergusonite-type (monoclinic, I 2/ a ) structure at low temperatures. Moreover, it has been also established that in many other chemical classes of compounds of the ABO 4 -type family (vanadates, , tantalates, tungstates, molybdates, etc.) temperature or pressure induces structural transformation from the tetragonal scheelite-to-monoclinic fergusonite symmetry which is illustrated in Figure .…”
Section: Introductionmentioning
confidence: 99%
“…(d) the bulk densities at different sintering temperatures and the highest density has been marked. LaNbO4 has been reported to undergo a reversible phase transition at around 540 o C from hightemperature scheelite (tetragonal, I41/a) to a fergusonite-type (monoclinic, C2/c) structure [23,41]. Of particular importance is the effect of high entropy on the phase transition behavior of LaNbO4 to understand the stable operating temperature range.…”
Section: Effects Of Entropy (3rno 4rno and 5rno) On Structure And Mic...mentioning
confidence: 99%
“…Rare-earth niobates, with a general formula ReNbO4, have been intensely studied because of their unique tetrahedral coordination with oxygen for Nb 5+ and the reversible ferroelastic phase transitions from low-temperature fergusonite (monoclinic, C2/c) to high-temperature scheelite structure (tetragonal, I41/a) [23,24]. More recently, ReNbO4 have been explored to promote their prospects in microwave or millimeter wave communications owing to their qualifying microwave dielectric properties.…”
Section: Introductionmentioning
confidence: 99%