Strain Engineering and Electric Field Tunable Electronic Properties of Janus MoSSe/WX2 (X = S, Se) van der Waals Heterostructures. Issue 11 (15th July 2019)

• Record Type: Journal Article
• Authors: Yu, Chen; Wang, Zhiguo
• Is Part Of: Physica status solidi. Volume 256:Issue 11(2019)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2019-07-15
• Subjects: electric field -- electronic structure -- Janus MoSSe -- strain effects -- transition metal dichalcogenides -- vdW heterostructures; Solid state physics -- Periodicals; Solids -- Periodicals; Atomic structure -- Periodicals; 530.41
• DOI: 10.1002/pssb.201900261
• Languages: English
• ISSNs: 0370-1972

Abstract

Abstract : Using first‐principles calculations, the electronic properties of Janus MoSSe/WX2 (X = S, Se) van der Waals (vdW) heterostructures are investigated. The results show that MoSSe/WS2 and MoSSe/WSe2 heterostructures have type‐II and type‐I band alignments with indirect band gaps of 1.50 and 1.52 eV, respectively. The electronic properties of MoSSe/WX2 vdW heterostructures can be tuned by an electric field and mechanical strain. A band alignment transition occurrs with the applied electric field, and the band gap changes. A type‐II to type‐I band alignment transition occurrs in the Janus MoSSe/WX2 heterostructure with a large strain. The band characteristics of MoSSe/WSe2 are sensitive to the electric field and mechanical strain. A positive electric field (from the bottom WX2 to the Janus MoSSe) induces an indirect‐to‐direct band gap transition in the MoSSe/WSe2 heterostructure. This work suggests that the Janus MoSSe/WX2 heterostructures have tunable electronic properties, making them promising candidates for nanoscale device applications. Abstract : As shown by first‐principles calculations, the electronic properties of MoSSe/WX2 (X = S and Se) van der Waals heterostructures can be tuned by an electric field and mechanical strain.