Effects of vertical electric field and compressive strain on....

Using first-principles calculations, including Grimme D2 method for van der Waals interactions, we investigate the tuning electronic properties of bilayer 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/Å, semiconducting-metallic transition presents. In addition, our results also demonstrated that the compressive strain has an important impact on the electronic properties of ZrS₂ bilayer sheet. The widely tunable band gaps confirm possibilities for its applications in electronics and optoelectronics.

通信作者：商继敏，中国科学院半导体研究所，Email：[e-mail]

Cite this article：Jimin Shang, Le Huang and Zhongming Wei. Effects of vertical electric field and compressive strain on electronic properties of bilayer ZrS₂. Journal of Semiconductors, 2017, 38(3): 033001

Fig. 1. Top and side view of geometric structures of ZrS₂ bilayer.

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