%0 journal article
%@ 1359-7345
%A Jerabek, P., Burrows, A., Schwerdtfeger, P.

%D 2022
%J Chemical Communications : ChemComm
%N 96
%P 13369-13372 
%R doi:10.1039/D2CC04928G
%T Solving a problem with a single parameter: a smooth bcc to fcc phase transition for metallic lithium
%U https://doi.org/10.1039/D2CC04928G
96 
%X 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 activiation barrier of 0.1 kJ mol−1, 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.