Abstract

In this research, we regulate the band gaps of some typical zinc-blende semiconductors by applying an external electric field. The variation of the geometric structures and the band gaps of AlP, AlAs, AlSb, GaP, GaAs, ZnO, ZnSe and ZnTe have been studied. We also calculated the stability, density of states, band structures and the charge distribution by the first-principles method based on density functional theory. Moreover, the giant Stark effect coefficients have also been analyzed in detail. From our results, we find that the magnitude and the direction of the electric field has a significant regulation effect on the band gaps and the electronic structures of AlP, AlAs, AlSb, GaP, GaAs, ZnO, ZnSe and ZnTe, which induces a phase transition from semiconductor to metal beyond a certain electric field. Therefore, we can regulate the physical properties of this type of semiconductors by tuning the magnitude and the direction of the electric field. This is very important for practical applications in nanoelectronic devices.

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