The Physics Society of Iran Iranian Journal of Physics Research 1682-6957 20 2 2020 08 22 Investigation of electronic and optical properties of novel graphene-like GeS2 monolayer by density function theory Investigation of electronic and optical properties of novel graphene-like GeS2 monolayer by density function theory 259 265 1614 10.47176/ijpr.20.2.35991 FA H R Alborznia 1. Department of Physics, Kermanshah Branch, Islamic Azad University, Kermanshah, Iran 2. Department of Physics, Center of Basic Science, Khatam ol-Anbia (PBU) University, Tehran, Iran 0000-0001-8330-332X S T Mohammadi 2. Department of Physics, Center of Basic Science, Khatam ol-Anbia (PBU) University, Tehran, Iran 0000-0001-8901-9311 Journal Article 2018 11 30 Electronic and optical properties of pentagonal GeS₂ monolayer are investigated by first principles calculations in the framework of the density functional theory. The stability of the nanostructure is confirmed by cohesive energy calculation, as well as phonon dispersion calculation. The electronic properties simulation indicates that GeS2 monolayer is an indirect band gap semiconductor with a band gap of about 0.9 eV. Furthermore, the optical properties investigation reveals that the material exhibits a very low absorption and reflectivity in visible region of the electromagnetic spectrum. However, it has a considerable absorption and reflectivity in the ultra violet region. The results of this study, therefore, suggest that the considered structure has a good potential application in the  new generation of opto-electronic devices, especially as a UV protection layer. Electronic and optical properties of pentagonal GeS₂ monolayer are investigated by first principles calculations in the framework of the density functional theory. The stability of the nanostructure is confirmed by cohesive energy calculation, as well as phonon dispersion calculation. The electronic properties simulation indicates that GeS2 monolayer is an indirect band gap semiconductor with a band gap of about 0.9 eV. Furthermore, the optical properties investigation reveals that the material exhibits a very low absorption and reflectivity in visible region of the electromagnetic spectrum. However, it has a considerable absorption and reflectivity in the ultra violet region. The results of this study, therefore, suggest that the considered structure has a good potential application in the  new generation of opto-electronic devices, especially as a UV protection layer. https://ijpr.iut.ac.ir/article_1614_e9fd7c2c6623306db59b6aef5c0d5cac.pdf