Add time:07/31/2019         Source:sciencedirect.com

By using the first principles calculations in the framework of the density functional theory, a new quasi-planer semiconductor material, namely magnesium carbide (cas 12151-74-5) Monolayer (Mg2C) is predicted. The stability of the proposed structure is confirmed by cohesive energy calculation. According to our simulation, Mg2C monolayer is a semiconductor material with an indirect band gap of 0.68 eV, which is tunable under external biaxial stress. Optical properties calculation indicates considerable sharp absorption peaks in ultra violet (UV) energy range. As a semiconductor with an indirect tunable band gap, Mg2C monolayer is a promising 2D material for application in future optoelectronic technology especially in designing ultraviolet (UV) light filters.

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