Abstract:In this paper, the electronic and optical properties of various point defects in gallium sulfide (GaS) and gallium selenide (GaSe) are studied. Various vacancy defects in each monolayer GaX (X=S, Se) include V X , V Ga , 2V X , 2V Ga , 1V Ga 1V X , 1V Ga 2V X , 2V Ga 1V X , 2V Ga 2V X . We compute the band structure, zero-bias transmission spectrum, and dielectric function for all considered structures. The calculations are carried out by the first-principles method. The calculation results indicate that the… Show more
Vacancy defects are inevitable when synthesizing two-dimensional (2D) materials, and vacancy defects greatly affect the physical properties, such as magnetism and electronic properties. Currently, sufficient information is not available on...
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