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Strain Engineering and Electric Field Tunable Electronic Properties of Janus MoSSe/WX 2 (X = S, Se) van der Waals Heterostructures
Author(s) -
Yu Chen,
Wang Zhiguo
Publication year - 2019
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201900261
Subject(s) - heterojunction , janus , electric field , van der waals force , condensed matter physics , band gap , materials science , optoelectronics , chemistry , nanotechnology , physics , organic chemistry , quantum mechanics , molecule
Using first‐principles calculations, the electronic properties of Janus MoSSe/WX 2 (X = S, Se) van der Waals (vdW) heterostructures are investigated. The results show that MoSSe/WS 2 and MoSSe/WSe 2 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/WX 2 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/WX 2 heterostructure with a large strain. The band characteristics of MoSSe/WSe 2 are sensitive to the electric field and mechanical strain. A positive electric field (from the bottom WX 2 to the Janus MoSSe) induces an indirect‐to‐direct band gap transition in the MoSSe/WSe 2 heterostructure. This work suggests that the Janus MoSSe/WX 2 heterostructures have tunable electronic properties, making them promising candidates for nanoscale device applications.