Thickness-dependent structural stability and transition in molybdenum disulfide under hydrostatic pressure

doi:10.1088/1674-1056/ab9440

Abstract Understanding the physical mechanism of structural stability and transition in various polytypes of layered transition metal dichalcogenides under the external stimulus is of crucial importance for their new applications. Here, we investigate the thickness-dependent structural properties of MoS₂ under the condition of hydrostatic pressure in terms of bond relaxation and thermodynamics considerations. For both types of MoS₂ structures, we find that the transition and metallization are significantly modulated by hydrostatic pressure and the number of layers. We establish a pressure-size phase diagram to address the transition mechanism. Our study not only provides insights into the thickness-dependent structural properties of MoS₂, but also shows a theoretical guidance for the design and fabrication of MoS₂-based devices.

Keywords: bond relaxation thickness effect layered transition metal dichalcogenides structural transition pressure modulation

Received: 03 February 2020
Revised: 19 April 2020
Accepted manuscript online:

PACS:	64.70.Nd	(Structural transitions in nanoscale materials)
	61.50.Ks	(Crystallographic aspects of phase transformations; pressure effects)
	64.10.+h	(General theory of equations of state and phase equilibria)
	64.60.an	(Finite-size systems)

Fund: Project supported by the National Natural Science Foundation of China (Grant No. 91833302).

Corresponding Authors: Gang Ouyang
E-mail: gangouy@hunnu.edu.cn

Cite this article:

Jiansheng Dong(董健生), Gang Ouyang(欧阳钢) Thickness-dependent structural stability and transition in molybdenum disulfide under hydrostatic pressure 2020 Chin. Phys. B 29 086403

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Thickness-dependent structural stability and transition in molybdenum disulfide under hydrostatic pressure

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