The effect of different transition metal dopants on the magnetic properties of armchair antimonene, phosphorene, and their binary nanoribbons.

• We comprehensively investigated the structural and magnetic properties of armchair Sb, P, and binary SbP nanoribbons. • Doping of these nanoribbons with 3d transition metal atoms (Ti, Cr, Mn, Fe, Co, and Ni) with various concentrations of dopant atoms have been analyzed. • It was found that the magnetic properties for single P and Sb nanoribbons do not depend on the substitution position of TM atoms. • The magnetization for substitution of Fe and Co atoms in the P position of the binary SbP nanoribbon will be greater than those of the Sb position. • The increasing of the number of impurity atoms in the nanoribbon leads to the magnetic moment increments, except for the nickel atom in the Sb position of the SbP nanoribbon, in which the nanoribbon prefers the ferrimagnetic state. Binary antimonene-phosphorene, a novel two-dimensional material with a medium band gap, high carrier mobility, and environmental stability, has attracted growing attention due to its wide applications in spintronics. Using density functional theory, we comprehensively investigate and compare the structural and magnetic properties of armchair Sb, P, and binary SbP nanoribbons doped with 3d transition metal atoms (Ti, Cr, Mn, Fe, Co, and Ni) with various concentrations of dopant atoms. We investigated magnetic properties, including magnetic moment, spin polarization, and spin density. It was found that the magnetic properties for single P and Sb nanoribbons do not depend on the substitution position of TM atoms. In contrast, for binary SbP nanoribbons, the substitution of TM atoms in P or Sb positions leads to different behaviors. For example, the magnetization for substitution of Fe and Co atoms in the P position of the binary SbP nanoribbon will be greater than those of the Sb position, but for other impurity atoms, the magnetization of the binary SbP nanoribbon does not strongly depend on the substitution position. The results show that with increasing the number of impurity atoms in the nanoribbon, the magnetic moment increases, except for the nickel atom in the Sb position of the SbP nanoribbon, in which the nanoribbon prefers the ferrimagnetic state. Also, the spin density results show that the magnetism of the doped systems is mainly attributed to the dopant atoms, and the neighboring atoms have a negligible contribution. The findings of antimonene-phosphorene nanoribbons doped with TM atoms may have potential applications in spintronic nanodevices. [ABSTRACT FROM AUTHOR]