A new criterion for the prediction of solid-state phase transition in TMDs.

Abstract

The classical thermodynamic criterion for phase transition predicts whether the phase transition will occur according to whether the nth derivative of the state parameter is discontinuous, and the continuity verification of multi-order derivatives increases the difficulty and complexity of judgment for phase transition to a certain extent. Based on the reverse shifts of the DOS curves near the Fermi level, we propose a new criterion for solid-state phase transition named Conch Criterion, which has been verified in the TMD system. The new criterion can observe the occurrence of phase transition from another perspective besides the thermodynamic properties while mutually confirming the thermodynamic criterion.