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

Abstract

The classical thermodynamic criterion for phase transition judges whether the phase transition occurs 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 Fermi level, we propose a new criterion for solid-state phase transition which has been verified in the TMDs system. The new criterion can observe the occurrence of phase transition from another perspective besides the thermodynamic properties while mutually confirming with the thermodynamic criterion.

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Publication details

The article was received on 12 Jul 2019, accepted on 11 Oct 2019 and first published on 11 Oct 2019


Article type: Paper
DOI: 10.1039/C9CP03915E
Phys. Chem. Chem. Phys., 2019, Accepted Manuscript

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

    S. Zhu, B. Yan, W. Zeng, D. Fan, B. Tang, F. Liu, X. Liu, H. Qin and Q. Liu, Phys. Chem. Chem. Phys., 2019, Accepted Manuscript , DOI: 10.1039/C9CP03915E

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