Exploring the high-pressure behavior of the three known polymorphs of BiPO{sub 4}: Discovery of a new polymorph

Journal Article · Sat Mar 14 00:00:00 EDT 2015 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4914407· OSTI ID:22399281

García-Domene, B. ^[1]; Gomis, O. ^[2]; Santamaría-Perez, D. ^[1]; Muñoz, A.; Rodríguez-Hernández, P. ^[3]; Achary, S. N.; Tyagi, A. K. ^[4]; Popescu, C. ^[5]

---

1. Departamento de Física Aplicada-ICMUV, MALTA Consolider Team, Universidad de Valencia, Edificio de Investigación, C/Dr. Moliner 50, Burjassot, 46100 Valencia (Spain)
2. Centro de Tecnologías Físicas, MALTA Consolider Team, Universitat Politècnica de Valencia, 46022 Valencia (Spain)
3. Departamento de Física, Instituto de Materiales y Nanotecnología, MALTA Consolider Team, Universidad de La Laguna, La Laguna 38205, Tenerife (Spain)
4. Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)
5. CELLS-ALBA Synchrotron Light Facility, Cerdanyola, 08290 Barcelona (Spain)

We have studied the structural behavior of bismuth phosphate under compression. We performed x-ray powder diffraction measurements up to 31.5 GPa and ab initio calculations. Experiments were carried out on different polymorphs: trigonal (phase I) and monoclinic (phases II and III). Phases I and III, at low pressure (P < 0.2–0.8 GPa), transform into phase II, which has a monazite-type structure. At room temperature, this polymorph is stable up to 31.5 GPa. Calculations support these findings and predict the occurrence of an additional transition from the monoclinic monazite-type to a tetragonal scheelite-type structure (phase IV). This transition was experimentally found after the simultaneous application of pressure (28 GPa) and temperature (1500 K), suggesting that at room temperature the transition might by hindered by kinetic barriers. Calculations also predict an additional phase transition at 52 GPa, which exceeds the maximum pressure achieved in the experiments. This transition is from phase IV to an orthorhombic barite-type structure (phase V). We also studied the axial and bulk compressibility of BiPO{sub 4}. Room-temperature pressure-volume equations of state are reported. BiPO{sub 4} was found to be more compressible than isomorphic rare-earth phosphates. The discovered phase IV was determined to be the less compressible polymorph of BiPO{sub 4}. On the other hand, the theoretically predicted phase V has a bulk modulus comparable with that of monazite-type BiPO{sub 4}. Finally, the isothermal compressibility tensor for the monazite-type structure is reported at 2.4 GPa showing that the direction of maximum compressibility is in the (0 1 0) plane at approximately 15° (21°) to the a axis for the case of our experimental (theoretical) study.

• OSTI ID: 22399281
• Journal Information: Journal of Applied Physics, Vol. 117, Issue 10; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
APPROXIMATIONS
BARITE
BISMUTH PHOSPHATES
COMPARATIVE EVALUATIONS
COMPRESSIBILITY
EQUATIONS OF STATE
MONAZITES
MONOCLINIC LATTICES
ORTHORHOMBIC LATTICES
PHASE TRANSFORMATIONS
PRESSURE DEPENDENCE
TEMPERATURE DEPENDENCE
TEMPERATURE RANGE 0273-0400 K
X-RAY DIFFRACTION