Autor:	Jerabek, Paul, Burrows, Anthony, Schwerdtfeger, Peter
Rok vydání:	2022
Předmět:	Condensed Matter - Materials Science
Zdroj:	Chem. Commun. 2022,58, 13369-13372
Druh dokumentu:	Working Paper
DOI:	10.1039/D2CC04928G
Popis:	Density functional calculations for metallic lithium along a cuboidal bcc-to-fcc transformation path demonstrate that the bcc phase is quasi-degenerate with the fcc phase with a very small activation barrier of 0.1~kJ/mol, but becomes the dominant phase at higher temperatures in accordance with Landau theory. This resolves the long-standing controversy about the two phases for lithium. Comment: 8 pages, 6 figures
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/2211.06317 Zobrazit plný text záznamu View this record from Arxiv