Investigation on the spintronic for armchair-shaped δ-graphyne induced by multiple doping with a transverse electric field

Graphyne holds a potential spintronic application for its unusual elastic and rich electrical properties. We investigate the electronic band structure of armchair-shaped δ-graphyne nanoribbon (AδGYNR) with an applied electric field. Based on the computational data, the results of AδGYNRs with nonmetallic and metallic doping and the intrinsic mechanism of electrical properties have been analyzed. It is discovered that the nonmetallic (B, P) and metallic (Co, Ni, Cu) atoms doping of AδGYNRs can reduce the band gap of system to almost zero, resulting in an obvious spin-splitting behavior. Besides, the electric conductivity of the AδGYNRs with atomic doping at the sp-site is better than the one at the sp²-site. Above all, after applying a transverse electric field to doped AδGYNR, our results reveal that the width of band gap may vary linearly with the intensity of the electric field, in which case the Ni1-doped AδGYNR transforms into semiconductor with a narrow band and the band gap decreases from 0.55 to 0.17 eV, thus our research could be conducive to effectively modulating the width of band gap of AδGYNRs. Our findings will help to the future development of micro- and nano-electronic devices based on AδGYNR.