First-Principles Elucidation of Atomic Size Effects Using DFT-Chemical Pressure Analysis: Origins of Ca36Sn23's Long-Period Superstructure

TitleFirst-Principles Elucidation of Atomic Size Effects Using DFT-Chemical Pressure Analysis: Origins of Ca36Sn23's Long-Period Superstructure
Publication TypeJournal Article
Year of Publication2013
AuthorsEngelkemier, J, Berns, VM, Fredrickson, DC
JournalJournal of Chemical Theory and Computation
Volume9
Pagination3170-3180
Date PublishedJul
Type of ArticleArticle
ISBN Number1549-9618
Accession NumberWOS:000321793100032
DOI10.1021/ct400274f