Ab initio phase diagram of PbSe crystals calculated with the random phase approximation

Author(s)
Tobias Schaefer, Zhaochuan Fan, Michael Grünwald, Georg Kresse
Organisation(s)
Computational Materials Physics
Journal
Physical Review B
Volume
98
No. of pages
7
ISSN
2469-9950
DOI
https://doi.org/10.1103/PhysRevB.98.144103
Publication date
10-2018
Publication status
Published
Peer reviewed
Yes
Austrian Fields of Science 2012
103006 Chemical physics, 103018 Materials physics
Keywords
AUGMENTED-WAVE METHOD, HIGH-PRESSURE, NANOCRYSTALS, METASTABILITY, TRANSITIONS, PBTE
Portal url
https://ucris.univie.ac.at/portal/en/publications/ab-initio-phase-diagram-of-pbse-crystals-calculated-with-the-random-phase-approximation(77a5adef-9c2b-4c3f-9215-5f5ab2eec7fb).html