AI Article Synopsis
- An out-of-plane vertical electric field of 1.0 V/Ang improves the stability of monolayer CdI by stabilizing its thermodynamic and kinetic properties.
- * The electric field creates a Mexican-hat electronic state and causes significant changes in the conduction and valence bands, including strong spin polarization and energy level splitting.
- * Overall, the electric field enhances the optical response of monolayer CdI, resulting in a broader range of effective absorption and a new peak in the optical spectrum that reduces excitonic effects.
Article Abstract
We found that an out-of-plane vertical electric field of 1.0 V/Ang helps to maintain the thermodynamic and kinetic stability of monolayer CdI.The results indicated that the electric field modulates monolayer CdI to produce the Mexican-hat electronic state and the giant Stark effect of the vertical electric field on monolayer CdI originates from electric field lifting its conduction band. The results based on HSE06 + SOC calculations show that electric field induces strong spin polarization, leading to significant energy level splitting and spin flipping in the valence band. Based on GW0 + BSE, the electric field broadens effective optical response range of monolayer CdI, the new peak in the optical absorption spectrum under electric field indicates that electric field helps to diminish excitonic effect of monolayer CdI.
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