Strain-induced electronic structures and band-gap of few-layer AgInP2S6

Jiapeng Zhen; Qiushi Huang; Ying Liu; Xinyu Luo; Xiande Zheng; Silin Guo; Jing Qiu; Guanjun Liu

doi:10.1088/1361-6528/acf6c5

Strain-induced electronic structures and band-gap of few-layer AgInP₂S₆

Nanotechnology. 2023 Oct 30;35(3). doi: 10.1088/1361-6528/acf6c5.

Authors

Jiapeng Zhen^{1

2}, Qiushi Huang³, Ying Liu^{1

2}, Xinyu Luo^{1

2}, Xiande Zheng^{1

2}, Silin Guo^{1

2}, Jing Qiu^{1

2}, Guanjun Liu^{1

2}

Affiliations

¹ College of Intelligence Science and Technology, National University of Defense Technology, Changsha, Hunan 400713, People's Republic of China.
² Science and Technology on Integrated Logistics Support Laboratory, National University of Defense Technology, Changsha, Hunan 400713, People's Republic of China.
³ Beijing Computational Science Research Center, Beijing 100093, People's Republic of China.

PMID: 37669636
DOI: 10.1088/1361-6528/acf6c5

Abstract

The band gap and mechanical control ability of two-dimensional materials largely determine the application value of two-dimensional devices in optical and electronic properties, so the bandgap controllability of two-dimensional materials broadens the application range of multi-functional devices. In the layered van der Waals (vdW) material AgInP₂S₆, the band gap can be adjusted by the number of layers and flexible strain, and the few layers AgInP₂S₆have discrete band gap values, which are also relevant for optoelectronic applications. In the strain range of up to 2.7% applied, the band gap can be adjusted, and the film is relatively stable under strain. We further analyzed the physical mechanism of flexible strain band gap regulation and found that strain-regulation reduced the band gap and increased the chemical bond length. These studies open up new opportunities for the future development of vdW material photoelectric resonators represented by AgInP₂S₆, and have important reference value.

Keywords: band-gap; electronic structure; few-layer; strains.