Pressure-Induced Rhombohedral-Simple Cubic Structural Phase Transition in As

抄録

In situ high-pressure X-ray and synchrotron radiation diffraction data for polycrystalline arsenic at ambient temperature show that it undergoes transition from the rhombohedral A7-type structure into the primitive simple cubic structure at a pressure of around 32 GPa and that this structure remains stable at least up to 45 GPa. The observation is in an agreement with the theoretical prediction by Mattheiss, Hamann and Weber (Phys. Rev. B34 (1986) 2190), but the trautsition occurs at a more reduced volume (V⁄V₀∼0.74) than that which was calculated.