Structural analysis of PbTaSe2 under high pressure

Recently, we found re-entrant superconductivity in PbTaSe2 under a high-pressure ∼25 GPa. PbTaSe2 undergo a structural phase transitions from the noncentrosymmetric hexagonal P6¯m2 to P6¯m2 (1e) at ∼0.25 GPa. Our calculations further suggested that PbTaSe2 may undergo a second structural phase transition to centrosymmetric tetragonal P4/mmm at ∼30 GPa, associated with the re-entrant superconductivity in this material. To understand the interplay between re-entrant superconductivity and topology in this topical material, it is highly imperative to investigate the structure under high pressure at PEARL and construct the corresponding phase diagram up of the newly-found re-entrant superconducting phase up to a few tens of GPa, which is expected to be published in a high-profile journal.