Half-metallic transition for ZGNRs adsorbing porphine molecules under an in-plane external electric field

The controlling of magnetic transition behavior by changing the coupling between molecule and nanoribbon has attracted a new topic. Here we study a zigzag graphene nanoribbon (ZGNR) absorbing the porphine molecules with different manners under an in-plane external electric field. These structureless systems may exhibit sensitive magnetic response. By employing the first-principles calculations, we find that the sensitivity of magnetic response for the asymmetry structure model is superior to the symmetry one. In general a series of the magnetic phase transitions for the asymmetry models can be induced by an in-plane external electric filed. Particularly, asymmetrical model of ZGNR absorbing porphine molecule at one side can transfer the half-metallic state from spin-up sub-band to spin-down one. Our analysis demonstrate that the phase transition is manipulated by the direction changing of the interior electric field. Interestingly, the models of structural asymmetry can exhibit spin-polarized electron band structures with the spin-polarization rate reaching up to 100%. The findings may provide an approach for the design of new devices to realize logic operation within spintronics.

Automated summary

This study explores the control of magnetic transition behavior by altering the coupling between a molecule and a nanoribbon. The researchers find that the sensitivity of the magnetic response is greater in the asymmetry structure model compared to the symmetry model. By applying an external electric field, the asymmetry models can induce a series of magnetic phase transitions and can convert the half-metallic state from spin-up sub-band to spin-down sub-band. The findings offer a potential approach for achieving logic operations in spintronics.