材料期刊网

Using first-principles calculations,including Grimme D2 method for van der Waals interactions,we investigate the tuning electronic properties ofbilayer zirconium disulfides (ZrS2) subjected to vertical electric field and normal compressive strain.The band gap of ZrS2 bilayer can be flexibly tuned by vertical external electric field.Due to the Stark effect,at critical electric fields about 1.4 V/(A),semiconducting-metallic transition presents.In addition,our results also demonstrated that the compressive strain has an important impact on the electronic properties ofZrS2 bilayer sheet.The widely tunable band gaps confirm possibilities for its applications in electronics and optoelectronics.