Structural stability and equation of state of simple-hexagonal phosphorus to 280 GPa : Phase transition at 262 GPa

• A structural phase transition and the equation of state of the simple-hexagonal (sh) phase, P-V, of phosphorus were investigated at pressures up to 280 GPa using monochromatic synchrotron x-ray diffraction. The P-V phase, which was stable above 137 GPa, has shown a structural transition to a higher-pressure phase, P-VI, above 262 GPa, while the c/a ratio of the sh phase slightly increased with increasing pressure from 0.948 to 0.956. The structure of the P-VI phase has been proposed to be bcc. The bulk modulus (B0) and the atomic volume at atmospheric pressure (V0) of the sh phase were estimated to be 84.1 GPa and 14.2 Å3, with a fixed value of the pressure derivative of the bulk modulus (B′0).

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