The modulation of the TiAlSiN coating on the band gap of monolayer MoS₂

ABSTRACT

MoS₂ is a two-dimensional semiconductor nanoelectronic device, the application value and application field of which can be increased based on band-gap modulation. In this study, monolayer MoS₂ samples were prepared on four TiAlSiN-coated substrates with different Ti compositions using the mechanical stripping approach. The band-gap variation in monolayer MoS₂ was studied using the photoluminescence (PL) spectrum. The modulation in the electronic properties of monolayer MoS₂ when the TiAlSiN coating was applied was obtained based on the first-principle calculations. Furthermore, contact models were obtained for three TiAlSiN coatings with different Ti compositions with respect to monolayer MoS₂. The state densities of the three crystal structures as well as the differences between the charge density and the state of density at the contact surface were evaluated. After the analysis, the calculated results were observed to agree with the experimental results, presenting an explanation for the modulation mechanism.

KEYWORDS:

• Monolayer MoS₂
• TiAlSiN coating
• band gap
• first-principle calculations

Acknowledgements

This work was supported by The Tribology Science Fund of State Key Laboratory of Tribology under grant number SKLTKF17B16.

Disclosure statement

No potential conflict of interest was reported by the author(s).

Geolocation information

State Key Laboratory of Mechanical Behaviour and System Safety of Traffic Engineering Structures, Shijiazhuang Tiedao University, Shijiazhuang 050043, China (38°04'N 114°30'E).

Additional information

Funding

This work was supported by The Tribology Science Fund of State Key Laboratory of Tribology [grant number SKLTKF17B16].