2007/12/31 by Eeuwe S. Zijlstra, Nils Huntemann, Martı́n E. Garcia +1
Earth and Planetary Sciences · Materials Science · Physics and Astronomy · #Crystal Structures and Properties #Glass properties and applications #High-pressure geophysics and materials #cond-mat.other
paper · pdf · doi:10.1088/1367-2630/10/3/033010
published as New Journal of Physics 10, 033010 (2008) · 9 pages, 5 figures Changes to content To be published in New Journal of Physics (accepted for publication)
arxiv created 2008/02/11 · openalex publication_date 2008/03/06 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/30
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 pressure-induced 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 a 0 3 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 .