Presentation Information
[7a-P05-60]Study on Mechanism of Indirect -Direct Transition in MoS2 thin films by first-principles calculation
〇Shunsuke Hirai1, Ibuki Terada1, Michito Suzuki1 (1.Osaka Metrpolitan Univ.)
Keywords:
2DMaterial,Transition Metal Dichalcogenide,First-principles calculation
MoS2, a layered material, is known to change its transition structure from an indirect transition semiconductor in the bulk to a direct transition semiconductor in a single layer. Since monolayer MoS2 is a direct transition semiconductor with high mobility, it is expected to be applied to field effect transistors. However, there are still many issues to be solved to fully demonstrate the physical properties of single-layer MoS2. In this study, we discuss the mechanism of the transition structure change from the viewpoint of electron orbitals in order to solve the problem as a first step to control the physical properties for the application.