Trivial to nontrivial topology transition in rare-earth pnictides with epitaxial strain
The combination of magnetotransport and topological properties has brought great attention to rare-earth monopnictides semimetals. For some of them, like LaSb, it is unclear whether they show nontrivial topology or not based on density functional theory calculations and angular resolved photoemission spectroscopy measurements. Here we use hybrid density functional theory to demonstrate that LaSb is in fact a trivial topological semimetal, in agreement with experiments, but on the verge of a transition to a topological phase. In this work, we show that under compressive epitaxial strain, the La $\textit{d}$ band crosses the Sb $\textit{p}$ band near the $\textit{Z}$ point in the Brillouin zone, stabilizing a topologically nontrivial phase, opening unique opportunities to probe the inter-relation between magnetotransport properties and the effects of band topology by examining epitaxially strained and unstrained thin films of the same material.