Mercury telluride is a canonical material for realizing topological phases, yet a full understanding of its electronic structure remains challenging due to subtle competing effects. Using first-principles calculations and k⋅p modelling, we study its topological phase diagram under strain. We show that linearly k-dependent higher-order C4 strain terms are important for capturing the correct low-energy behaviour. These terms lead to a nontrivial k-dependence of the sub-band splitting arising from the interplay of strain and bulk inversion asymmetry. This explains the camel-back feature in the tensile regime and supports the emergence of a Weyl semimetal phase under compressive strain.
@article{arxiv.2408.13042,
title = {Anisotropic sub-band splitting mechanisms in strained HgTe: a first principles study},
author = {Eeshan Ketkar and Giovanni Marini and Pietro Maria Forcella and Giorgio Sangiovanni and Gianni Profeta and Wouter Beugeling},
journal= {arXiv preprint arXiv:2408.13042},
year = {2026}
}