Magnetic properties of rhenium disulfide (ReS2) monolayer doped with different nonmetal atoms

摘要

Magnetic properties of the ReS2 monolayer doped with nonmetal atoms are studied by the first-principles method. Different dopants (B, C, Cl, F, N, and O) and doping sites are considered. Similar as transition metal (TM) atoms, magnetic behavior appears in B, C, F, and O doped systems. On the other hand, the calculated binding energies show that the B doped system has a most stable formed system among four magnetic materials. Therefore, we study the ferromagnetic interaction in two-B-doped ReS2 monolayer. Interestingly, by increasing the B-B distance, both ferromagnetic (FM) and nonmagnetic (NM) are found. On the basis of our analysis, the FM coupling originates from a p-d exchange-like p p coupling interaction. (C) 2017 Elsevier GmbH. All rights reserved.