| Lizenz: Creative Commons Namensnennung 4.0 International PDF - Veröffentlichte Version (6MB) |
- URN zum Zitieren dieses Dokuments:
- urn:nbn:de:bvb:355-epub-447529
- DOI zum Zitieren dieses Dokuments:
- 10.5283/epub.44752
Zusammenfassung
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 structure candidates with composition ABX(3) were identified by a database search and global exploration approach. Besides the common octahedral coordination ...
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