Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session N20: Matter at Extreme Conditions: Simulation and Novel Methods
11:30 AM–2:06 PM,
Wednesday, March 8, 2023
Room: Room 212
Sponsoring
Unit:
GSCCM
Chair: J Matthew Lane, Sandia National Laboratories
Abstract: N20.00005 : Ab initio high pressure and temperature phase diagram of Au
12:18 PM–12:30 PM
Presenter:
Pauline Richard
(CEA, DAM, DIF)
Authors:
Johann Bouchet
(CEA DES IRESNE DEC)
Pauline Richard
(CEA, DAM, DIF)
Francois Bottin
(CEA, DAM, DIF)
Grégory Geneste
(CEA, DAM, DIF)
Alois Castellano
(NanoMat/Q-Mat/CESAM and European Theoretical Spectroscopy Facility, Université de Liège Belgium)
Romuad Béjaud
(CEA, DAM, DIF)
References:
[1] N. Smirnov, J. Phys. Condens. Matter 29, 105402 (2017)
[2] T. Ishikawa et al, Phys. Rev. B 88, 214110 (2013)
[3] L. Dubrovinsky et al. Phys. Rev. Lett. 98, 045503 (2007)
[4] A. Dewaele et al. Nature Communications 9, 2913 (2018)
[5] Briggs et al. PRL, 123, 045701 (2019)
[6] A, Castellano et al. Phys. Rev. B 106, L161110 (2022)
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