Ferromagnetism in PtTe2 monolayer introduced by doping 3d transition metal atoms and group VA and VIIB atoms

Abstract

Most of the two-dimensional layered materials discovered so far are intrinsically nonmagnetic. Introducing ferromagnetism into these materials will expand their application greatly in the field of spintronics. Here we study the introduction of ferromagnetism into the PtTe2 monolayer via doping the 3d transition metal atoms and the group VA and VIIB atoms by means of the first-principles calculations. Results show that the magnetic order can be introduced in the V-, Mn-, Fe-, Cu- and Zn-doped PtTe2 monolayers, among which the V-, Cu- and Zn-doped monolayers have ferromagnetic ground state, and the Mn- and Fe-doped monolayers have antiferromagnetic ordering in ground state. Among the group VA atom doped systems, N-, P- and As-doped monolayers exhibit ferromagnetic, and Sb doped monolayer is a nonmagnetic metal. All the VIIB atom doped PtTe2 monolayers are nonmagnetic, while the doping makes the PtTe2 monolayer transit from an indirect bandgap semiconductor to metal. The findings obtained in this work may initiate new experimental exploration and expand the application of the layered transition-metal ditellurides in spintronics.