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arXiv · 2004.02954

Trivial to nontrivial topology transition in rare-earth pnictides with epitaxial strain

Shoaib Khalid·Anderson Janotti
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Abstract

The combination of magneto-transport and topological properties has brought great attention to rare-earth mono-pnictides semimetals. For some of them, like LaSb, it is unclear whether they show non-trivial 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. We show that under compressive epitaxial strain, the La $d$ band crosses the Sb $p$ band near the X$_3$ point in the Brillouin zone, stabilizing a topologically non-trivial phase, opening unique opportunities to probe the inter-relation between magneto-transport properties and the effects of band topology by examining epitaxially strained and unstrained thin films of the same material.

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Shoaib Khalid, Anderson Janotti. 2020-04-06. Trivial to nontrivial topology transition in rare-earth pnictides with epitaxial strain. https://doi.org/10.1103/physrevb.102.035151

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