Equilibrium pressure of the uncollapsed-to-collapsed transition

Determine the equilibrium transition pressure between the uncollapsed and collapsed states of the N-derived Ti₃C₂ multilayer structure.

Background

Hydrostatic-pressure calculations identify a collapse of the N-derived branch between 60 and 70 GPa and an enthalpy crossover with the parent near 85 GPa. Because compression and decompression yield distinct solutions, the calculations indicate metastability and history dependence but do not locate the equilibrium transition pressure separating the uncollapsed and collapsed reconstructed states.

References

This history dependence is consistent with a first-order-like collapse and metastability, although it does not locate the equilibrium transition pressure between the uncollapsed and collapsed states.

— Bond-Switching Reconstruction in Bare Ti3C2 MXene  (2610.11062 - Lin, 8 Oct 2026) in Section “Pressure-induced collapse and enthalpy crossover”