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).


Autor(inn)en / Herausgeber(innen)

Zuletzt aktualisiert 2019-01-11 um 16:04