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Structural Properties of Multiferroic BiFeO3 under Hydrostatic Pressure
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文摘
High-pressure structural properties of multiferroic perovskite-type BiFeO3 have been investigated by high-resolution synchrotron X-ray powder diffraction at room temperature up to 9.7 GPa. BiFeO3 shows rather complicated structural behavior. The ambient-pressure ferroelectric R3c phase transforms to an orthorhombic phase OI at around 4 GPa during compression. The OI phase is characterized by a superstructure √2ap × 3√2ap × ap, where ap is the parameter of the cubic perovskite subcell (a = 5.4939(4) Å, b = 16.6896(9) Å, c = 3.8728(2) Å at 4.9 GPa). The OI phase transforms to an orthorhombic phase OII at around 7 GPa. The OII phase is characterized by a superstructure √2ap × 3√2ap × 2ap (a = 5.5021(3) Å, b = 16.2439(11) Å, c = 7.6960(4) Å at 9.7 GPa). During decompression, significant hysteretic behavior was found. The OII phase was stable down to about 3 GPa. The OII phase then transforms to an orthorhombic phase OIII that is characterized by a superstructure √2ap × 2√2ap × 2ap (a = 5.5617(6) Å, b = 11.2153(10) Å, c = 7.7788(7) Å at 2.2 GPa). The R3c phase appeared below about 1 GPa; however, even at ambient pressure, traces of the OIII phase remained. The OIII phase seems to be isostructural with antiferroelectric PbZrO3 (space group Pbam).

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