Band Structure and Effective Mass in Monolayer MoS2

Area of Science:

• Materials Science
• Condensed Matter Physics
• Nanotechnology

Background:

• Monolayer transition-metal dichalcogenides are promising 2D materials for electronics.
• Molybdenum disulfide (MoS2) exhibits unique electronic properties due to its 2D layered structure.
• MoS2 can be utilized in high-performance metal-oxide-semiconductor field-effect transistors (MOSFETs).

Purpose of the Study:

• To perform detailed calculations of the electronic band structure for MoS2.
• To compute the carrier mobility of MoS2.
• To explore the potential of MoS2 in future transistor technologies.

Main Methods:

• Utilized the tight-binding method for band structure calculations.
• Incorporated linear combination of atomic orbitals, neighbor interactions, and spin-orbit coupling.
• Employed the Kubo-Greenwood formula to determine carrier mobility.

Main Results:

• Calculated the band structure of MoS2, enabling determination of density of states and effective mass.
• Quantified carrier mobility based on the derived tight-binding band structure.
• Provided insights into the electronic properties crucial for device performance.

Conclusions:

• The tight-binding method provides a robust framework for understanding MoS2 electronic properties.
• Calculated band structure and carrier mobility are key parameters for MoS2-based MOSFET design.
• MoS2 remains a strong candidate for next-generation high-performance transistor technology.