Ab initio study of ABiO(3) (A = Ba, Sr, Ca) under high pressure

Author(s)
Andriy Smolyanyuk, Cesare Franchini, Lilia Boeri
Organisation(s)
Computational Materials Physics
Journal
Physical Review B
Volume
98
No. of pages
8
ISSN
2469-9950
DOI
https://doi.org/10.1103/PhysRevB.98.115158
Publication date
09-2018
Publication status
Published
Peer reviewed
Yes
Austrian Fields of Science 2012
103015 Condensed matter
Keywords
TOTAL-ENERGY CALCULATIONS, AUGMENTED-WAVE METHOD, CHARGE-DENSITY-WAVE, CRYSTAL-STRUCTURE, SEMICONDUCTOR TRANSITION, MOLECULAR-DYNAMICS, BASIS-SET, SUPERCONDUCTIVITY, BAPB1-XBIXO3, PEROVSKITE
Portal url
https://ucris.univie.ac.at/portal/en/publications/ab-initio-study-of-abio3-a--ba-sr-ca-under-high-pressure(8140d386-d468-4b83-ae2f-6ae3744e51e5).html