Straintronic effect for superconductivity enhancement in Li-intercalated bilayer MoS₂

Area of Science:

• Materials Science
• Condensed Matter Physics
• Computational Chemistry

Background:

• Molybdenum disulfide (MoS2) is a promising material for electronic applications.
• Superconductivity in layered materials is an active area of research.
• Strain engineering offers a route to tune material properties.

Purpose of the Study:

• To investigate the effect of compressive and tensile strain on superconductivity in Li-intercalated bilayer MoS2.
• To elucidate the distinct mechanisms responsible for superconductivity enhancement under different strain types.
• To predict the superconducting transition temperature (Tc) under various strain conditions.

Main Methods:

• *Ab initio* density functional theory calculations.
• Analysis of electron phonon coupling (EPC).
• Investigation of Fermi surface topology and nesting functions.

Main Results:

• Tensile strain up to 6.0% increased the superconducting transition temperature (Tc) from 0.46 K to 9.12 K.
• Compressive strain enhanced superconductivity through increased intrinsic electron phonon matrix elements.
• Electron pockets on the Fermi surface significantly contribute to EPC, accounting for 80% of the total coupling (λ = 0.98).

Conclusions:

• Strain engineering is an effective method to enhance superconductivity in Li-intercalated bilayer MoS2.
• Distinct mechanisms govern superconductivity enhancement under tensile (Fermi surface topology changes) and compressive (electron phonon matrix elements) strain.
• Calculations predict a Tc of 13.50 K, highlighting the potential of this material system.