Elemental tellurium (Te), with its intrinsic chirality and nontrivial electronic topology, stands at the forefront of condensed matter physics as a canonical platform for investigating the nexus of crystalline symmetry, Weyl physics, and emergent superconductivity. However, unresolved questions regarding Te’s high-pressure structures and topological states necessitate its reexamination. Herein, we, guided and validated by available experimental data, present a systematic study of Te’s structural, topological, and superconducting properties up to 300 GPa using first-principles calculations and intelligent structural searches. We identify a more complete phase transition sequence, reconciling prior controversies on R3̅ m, and further reveal a novel I4/mmm phase at 65 GPa and a final Fm3̅ m phase above 275 GPa. An analysis of the band structure, Z2 topological invariants, and surface states reveals that such a structural cascade drives a distinct topological evolution from a topological insulator to topological semimetal and finally to topological metal. Metallic states enable electron–phonon-mediated superconductivity, which onsets in the Te–I phase at 3.8 GPa, peaks with a Tc of 8.4 K in the Im3̅ m phase at 27 GPa, and is ultimately suppressed at extreme pressures. Critically, our analysis across a more complete structural pathway suggests that the evolution of superconductivity in Te is controlled by its structural progression rather than by the electronic density of states near the Fermi level. These findings establish high-pressure Te as a canonical platform for exploring the interplay of nontrivial topology and emergent superconductivity, providing a clear blueprint for the rational design of future topological superconductors.
Dou et al. (Wed,) studied this question.