Aufsatz in einer Fachzeitschrift
Laser-induced solid-solid phase transition in As under pressure: a theoretical prediction
Details zur Publikation
Autor(inn)en: | Zijlstra, E.; Garcia, M. |
Publikationsjahr: | 2008 |
Zeitschrift: | New Journal of Physics |
Seitenbereich: | 033010 |
Jahrgang/Band : | 10 |
ISSN: | 1367-2630 |
Zusammenfassung, 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 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 Delta 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).
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 Delta 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).
