Using first-principles calculations, we propose a two-dimensional diluted magnetic
semiconductor: monolayer MoS 2 doped by transition metals. Doping of transition metal …

We investigate the electronic and magnetic properties of Mn-doped monolayer MoS 2 using
a combination of first-principles density functional theory (DFT) calculations and Monte Carlo …

Utilizing first-principles calculations, the electronic structures, magnetic properties and band
alignments of monolayer MoS 2 doped by 3d transition metal atoms have been investigated …

The magnetism of the 3d transition-metal (TM) doped single-layer (1L) MoS2, where the Mo
atom is partially replaced by the 3d TM atom, is investigated using the first-principles density …

First principle calculations are employed to calculate the electronic and magnetic properties
of Co doped MoS2 by considering a variety of defects including all the possible defect …

Manipulating electronic and magnetic properties of two-dimensional (2D) transitional-metal
dichalcogenides (TMDs) MX 2 by doping has raised a lot of attention recently. By performing …

First-principles calculations have been performed to investigate the electronic and magnetic
properties of monolayer MoS 2 substitutionally doped with Mn, Fe, and Co in possible …

Using first-principles calculations, we have investigated the electronic structure and
magnetic properties of Fe-X 6 clusters (X= S, C, N, O and F) incorporated in 4× 4 monolayer …

We report a detailed investigation of the electronic and magnetic properties of the transition
metal (TM) doped two-dimensional (2D) MoS 2 using ab initio calculations. The doping is …

Electron-beam mediated substitutional doping of monolayer MoS2 was recently
demonstrated, opening a new way to modify its properties. Using first-principles calculations …