Press-engineered funnel effect in MoS2 monolayer homojunction. (23rd November 2018)

• Record Type: Journal Article
• Authors: Zhou, Guoru; Huang, Le; Zhong, Mianzeng; Wei, Zhongming; Li, Jingbo
• Is Part Of: Journal of physics. Volume 52:Number 5(2019)
• Publication Date: 2018-11-23
• Subjects: funnel effect -- band alignment -- homojunction -- electronic properties -- first-principles calculation; Physics -- Periodicals; 530
• DOI: 10.1088/1361-6463/aaef47
• Languages: English
• ISSNs: 0022-3727

Abstract

Abstract: First principles calculations are performed to explore the effect of applied vertical press on the electronic structure of monolayer MoS2 . It is demonstrated that MoS2 monolayer exhibits significant modulation of its band gap and band edges by the applied vertical press. Monolayer MoS2 homojunction with type-I band alignment can be formed by applying vertical press partially on the MoS2 monolayer. The effect of the vertical press on the electronic structure of MoS2 monolayer homojunction can be significantly enhanced by enlarging the pressed area. A semiconductor-to-metal transition occurs when the MoS2 homojunction is subjected to large presses. The varying band diagram including the band edges and band gap leads to a funnelling effect with both holes and electrons concentrate on the pressed region. Our results will provide intriguing opportinuities for designing optoelectronic and photovoltaic devices with good performance based on 2D materials.