The effect of X-atom (X = B, C, N, and O) doping and vacancy defect on the electronic and magnetic properties of binary antimonene-phosphorene nanoribbon: a first-principle investigation.

How to induce magnetism for two-dimensional materials has always been a focus of research in nanomaterials science. In this work, employing density functional theory, we investigated the structural stability and electronic-magnetic properties of antimonene-phosphorene (SbP) nanoribbons doped with B, C, N, and O atoms. Additionally, we investigated the effects of vacancy defects along with impurity atoms doping on antimonene-phosphorene nanoribbons. Our analysis revealed that all doped and defected structures displayed robust structural stability, as evidenced by negative binding and formation energies. It was found that the substitution of impurity atoms in either P or Sb positions of the SbP nanoribbon leads to different behaviors, and only the SbP nanoribbons doped with C atom in P position and doped with O atom in Sb position show magnetic properties. Moreover, we observed that the magnetic properties of vacancy structures doped with impurity atoms varied based on the number of doping atoms in P or Sb positions. For instance, spin polarization behavior can be realized in P-vacancy nanoribbons doped with one and two N atoms, and the magnetic moment variations in Sb-vacancy nanoribbon doped with N atoms are nearly three times greater than those of the P-vacancy nanoribbon. Furthermore, the effects of the transverse electric field have also been calculated, and we found that applying an electric field to the system can reduce the band gap and modulate the magnetic moment. Intriguingly, we observed negative differential resistance behavior and an 80% spin filtering effect in antimonene-phosphorene nanoribbons with a phosphorus vacancy. Overall, these findings offer new insights into designing next-generation nano spintronic devices within antimonene-phosphorene nanoribbons. [ABSTRACT FROM AUTHOR]