Compressibility of cubic white, orthorhombic black, rhombohedral black, and simple cubic black phosphorus

Abstract

The effect of pressure on the crystal structure of white phosphorus has been studied up to 22.4 GPa. The α phase was found to transform into the α' phase at 0.87 ± 0.04 GPa with a volume change of 0.1 ± 0.3 cc/mol. A fit of a second order BirchMurnaghan equation to the data gave Vo = 16.94 ± 0.08 cc/mol and K o = 6.7 ± 0.5 GPa for the α phase and Vo = 16.4 ± 0.1 cc/mol and K o = 9.1 ± 0.3 GPa for the α' phase. The α' phase was found to transform to the A17 phase of black phosphorus at 2.68 ± 0.34 GPa and then with increasing pressure to the A7 and then simple cubic phase of black phosphorus. A fit of a second order Birch-Murnaghan equation to our data combined with previous measurements gave Vo = 11.43 ± 0.05 cc/mol and K o = 34.7 ± 0.5 GPa for the A17 phase, Vo = 9.62 ± 0.01 cc/mol and K o = 65.0 ± 0.6 GPa for the A7 phase and , Vo = 9.23 ± 0.01 cc/mol and K o = 72.5 ± 0.3 GPa for the simple cubic phase. PACS numbers:Phase transitions, crystallographic aspects of, 61.50.KsHigh-pressure effects, structural properties of materials, 81.40.Vw X-ray diffraction in crystal structure, 61.05.cp

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