Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Schön, Christian J."'
Publikováno v:
Journal of Innovative Materials in Extreme Conditions
Theoretical modifications of ScOCl at extreme thermodynamic conditions have been identified and are studied as an example of rare earth element (RRE) compounds. Global optimizations with empirical potentials and local optimizations on the ab initio l
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______4175::bb32a2c0bc75c03f859da0c91e6e7f87
https://vinar.vin.bg.ac.rs/handle/123456789/10475
https://vinar.vin.bg.ac.rs/handle/123456789/10475
Autor:
Pielnhofer, Florian, Diehl, Leo, Jiménez-Solano, Alberto, Bussmann-Holder, Anette, Schön, Christian J., Lotsch, Bettina V.
Publikováno v:
APL Materials, Vol 9, Iss 2, Pp 021103-021103-8 (2021)
Following the recent successful synthesis and characterization of bulk SnTiO3, its energy landscape was studied by means of density functional theory, applying different exchange–correlation and hybrid functionals. Experimentally accessible structu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f3dbb807f8c16d6eede2108362953395
https://epub.uni-regensburg.de/44752/
https://epub.uni-regensburg.de/44752/