High-pressure phase transitions of ScPO[subscript 4] and YPO[subscript 4]
ScPO{sub 4} and YPO{sub 4} with the tetragonal zircon-structure were studied at room temperature and pressures up to -50 GPa. Pressure-induced phase transitions to the sheelite structure occur at 30 GPa for ScPO{sub 4} and 16.3 GPa for YPO{sub 4}, respectively. In addition to the scheelite-type high-pressure phase, an intermediate phase with the monoclinic monazite-type structure formed during the phase transition process of YPO{sub 4}. The high-pressure phases of ScPO{sub 4} and YPO{sub 4} are not quenchable on pressure release. The pressure dependence of the total energy of the different phases was calculated using density-functional method, and the results confirm the experimentally observed phase relations under pressure. Structural parameters and compressibility of each phase were determined by refinement of the x-ray diffraction patterns. The high-pressure phase of ScPO{sub 4} has a very large bulk modulus [376(8) GPa].
- Research Organization:
- Argonne National Laboratory (ANL)
- Sponsoring Organization:
- USDOE
- OSTI ID:
- 1006013
- Journal Information:
- Phys. Rev. B, Journal Name: Phys. Rev. B Journal Issue: (18) ; 2009 Vol. 80; ISSN 1098-0121
- Country of Publication:
- United States
- Language:
- ENGLISH
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