Magnetic properties of 3d transition metal (Sc–Ni) doped plumbene

Abstract

Distance dependent exchange coupling between two transition metal (TM) impurities doped in plumbene in sites along the zigzag (zi) and the armchair (aj) directions.

Substitutional 4d transition metal doping in atomically thin lead

“…The calculated band gap energy, lattice constant, and buckling height of freestanding plumbene are 0.43 eV, 4.93 Å, and 1.01 Å, respectively. 36 …”

“…Aer full geometry relaxation, all TM impurities form strong bonding to plumbene with a single vacancy because the values of E b are in the range of 3.08 eV and higher. Generally, the E b values are signicantly higher than those form 3d TM-doped in plumbene 36 and phosphorene, 13 but still lower than those from 4d TM-doped doped in graphene. 39 The binding energy values suggest that the bonding strength of the 4d TM impurities to plumbene is rather strong (see Fig.…”

“…The calculated band gap energy, lattice constant, and buckling height of freestanding plumbene are 0.43 eV, 4.93 A, and 1.01 A, respectively. 36 To model the single impurity TM-doped systems, we chose a 4 Â 2 supercell along the zigzag and armchair directions with lattice constants of a ¼ 19.74 A and b ¼ 17.09 A, as shown in Fig. 1.…”

“…As obtained by PBE calculations, the equilibrium lattice constant, Pb-Pb bond length, and buckling height were estimated to be 4.93 A, 3.02 A, and 1.01 A, respectively, which are consistent with previous studies. 3,[36][37][38] Table 1 lists the geometric, electronic, and magnetic characters of TM-substituted plumbene. The binding energy in our calculations is dened as follows:…”

Future Prospect of Plumbene: A Review

“…It has been appeared that the 2D semiconductors combining with magnetic data storage materials might prompt to 2D spintronics devices with huge applications 73) . The magnetic properties of 2D materials may be altered with the aid of using doping process or making adsorption of transition metal elements that could result in dilute magnetic semiconductors in 2D semiconductors 74) .…”