Efficient band structure engineering and visible-light response in ZrS2/GaS heterobilayer by electrical field or external strains

Publication date: Available online 14 June 2019Source: Physics Letters AAuthor(s): Yanxing Zhang, Zongxian YangAbstractVia first-principle methods, the electronic structures and optical properties of 2D ZrS2/GaS van der Waals heterostructure (vdWH) are studied. It is found that the band alignment changes from type-II to type-I under negative electrical field, and compressive strains. The transition points are -0.2 V/Å and -1%, respectively. The band gap changes efficiently under positive electrical field and compressive strains. The tensile strains increase the optical adsorption coefficients in ultraviolet regions, while the compressive strains increase the optical adsorption coefficients in visible region significantly.

Source: Physics Letters A - June 15, 2019 Category: Physics Source Type: research