The Tin Pest Problem as a Test of Density Functionals Using High-Throughput Calculations

Michael J. Mehl, Mateo Ronquillo, David Hicks +7

At ambient pressure tin transforms from its ground-state semi-metal $\alpha$-Sn (diamond structure) phase to the compact metallic $\beta$-Sn phase at 13${}^{\circ }$C (286K). There may be a furt…