Strain effect on the electronic and optical properties of 2D Tetrahexcarbon: a DFT-based study

A new two-dimensional (2D) carbon allotrope, namely Tetrahexcarbon (TH-carbon) semiconductor monolayer with a direct band gap resides in the visible region of the electromagnetic spectra, has been recently proposed theoretically. Herein, the influences of biaxial strains on the electrical and optical aspects of 2D TH-carbon are computationally investigated. To this end, first-principles calculations based on the properties of the density functional theory were employed. According to our simulations, the electronic and optical properties of 2D TH-carbon are effectively sensitive to the external strain effects. This obtained strain sensitivity suggests that this 2D material could be a promising material for usage in new electronic technologies. [GRAPHICS] .

Automated summary

A new two-dimensional carbon allotrope called Tetrahexcarbon (TH-carbon) has been theoretically proposed, which is a semiconductor monolayer with a direct band gap in the visible region. Computational investigations on the effects of biaxial strains on 2D TH-carbon's electrical and optical properties show promising potential for this material in new electronic technologies. The obtained strain sensitivity indicates the significant influence of external strains on the electronic and optical properties of 2D TH-carbon.