09:30 〜 11:30
▲ [21a-P02-4] Tunable Optical Properties in MoS2/WS2 Heterostructure by External Electric Field
キーワード：Transitional-metal dichalcogenides, heterostructure, optical properties
Highlighting the importance of optoelectronic application, understanding the electronic and optical properties of TMD materials and how to control these properties become a critical step to accomplish such novel devices. In this work, we conduct a comprehensive study of the electronic properties of MoS2/WS2 van der Waals heterostructure and widen our attention to optical conductivity by performing first-principles calculations. The calculations were performed by using the full-potential augmented plane wave (FLAPW) method and generalized gradient approximation (GGA) as the exchange-correlation. The heterostructures of MoS2/WS2 is constructed by forming 1x1 cell, in which an external electric field applied varies from -2.6 to +2.6 V/nm. An indirect band gap emerges in the MoS2/WS2, which is an opposite characteristic to those in the isolated monolayers. Calculations of the optical conductivity reveal that electric field is an interesting way to tune optical conductivity properties of MoS2/WS2 proved by the significant effects.