[7p-C11-1~21] 17.3 Layered materials

[7p-C11-14] Optoelectronic Functions Induced by Electronic Interactions at the Interface Between 2-Dimensional Layered Materials

〇Kenji Iida¹, Masashi Noda¹, Katsuyuki Nobusada¹ (1.IMS)

Keywords:first-principles calculation, hetero-interface system, Optical response

Novel optoelectronic devices are intensively developed by integrating two-dimensional layered materials such as graphene and transition metal dichalcogenide. Because of the investigations into these devices, it is gradually being realized that the optical responses of hetero-integrated systems cannot be simply related to the optical properties of their building blocks. We have developed a first-principles computational program named SALMON that can be applied to photo-induced electron dynamics of nanostructures. In this study, we applied SALMON to a MoS₂-Graphene hetero-integrated system, and revealed the mechanism of the optical response by focusing on the electronic interactions at the interface between MoS₂ and Graphene induced by light irradiation.