[11a-Z29-1~15] 17.3 Layered materials

[11a-Z29-14] Carrier distribution in MoS₂/WS₂ vdW heterostructure under a perpendicular electric filed

〇Mina Maruyama¹, Kosuke Nagashio², Susumu Okada¹ (1.Univ. of Tsukuba, 2.The Univ. of Tokyo)

Keywords:Transition metal dichalcogenide, vdW heterostructure, FET

Electronic properties of van der Waals heterosheet comprising MoS₂ and WS₂ under the perpendicular electric field were studied in terms of the field strength, electron doping concentration, and interlayer stacking arrangement by using first-principles total-energy calculations based on the density functional theory. Accumulated carrier distribution is controllable by tuning the field direction, field strength, and doping concentration: The electron is localized on MoS₂ layer situated at the positively charge electrode side under the strong positive field with low doping concentration, while it is extended throughout the layers under the strong negative field. Stacking misorientation between the layers further enhances the electron localization under the positive field and extended nature under the strong negative field. The stacking arrangement and electric field are additional tuning parameters of electronic properties of van der Waals heterostructures.