Laser-induced solid-solid phase transition in As under pressure: A theoretical prediction

Abstract

In arsenic, a pressure-induced solid-solid phase transition from, the A7 into the simple cubic structure has been experimentally demonstrated (Beister et al 1990 Phys. Rev. B 41 5535). In this paper, we present calculations, which predict that this phase transition can also be induced by an ultrashort laser pulse in As under pressure. In addition, calculations for the pressureinduced phase transition are presented. Using density functional theory in the generalized gradient approximation, we found that the pressure-induced phase transition takes place at 26.3 GPa and is accompanied by a volume change Δ V = 0.5 a03 atom-1. The laser-induced phase transition is predicted for an applied pressure of 23.8 GPa and an absorbed laser energy of 2.8 mRy atom-1. © IOP Publishing Ltd and Deutsche Physikalische Gesellschaft.