Strain engineering and electric field tunability of the electronic properties of a two-dimensional ZnGeN2monolayer

Thi Nga Do, Son Tung Nguyen, D. K. Pham

研究成果: Article同行評審

摘要

In this work, by means of first-principles calculations, we investigate the structural and electronic properties of a two-dimensional ZnGeN2 monolayer as well as the effects of strain and an electric field. The ZnGeN2 monolayer is known to be a dynamically stable structure at room temperature. In the ground state, the ZnGeN2 monolayer possesses semiconducting characteristics with an indirect band gap of 1.73/2.96 eV obtained via PBE/HSE06 calculations. Furthermore, the electronic properties of the ZnGeN2 monolayer can be manipulated via strain engineering and an electric field. Both biaxial and uniaxial strain give rise to the change in the band gap and lead to the semiconductor-to-metal transition and from an indirect to a direct band gap, while the electric field leads to a decrease in the band gap and gives rise to the semiconductor-to-metal transition. Our findings suggest that the ZnGeN2 monolayer is a promising candidate for high-performance multifunctional nanodevices.

原文English
頁(從 - 到)22077-22083
頁數7
期刊New Journal of Chemistry
45
發行號47
DOIs
出版狀態Published - 2021 12月 21

All Science Journal Classification (ASJC) codes

  • 催化
  • 化學 (全部)
  • 材料化學

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