Reduction of Magnetic Interaction Due to Clustering in Doped Transition-Metal Dichalcogenides: A Case Study of Mn, V, Fe-Doped $\mathrm{WS}{\mathrm{e}}_2$

Sabyasachi Tiwari, Maarten Van de Put, Bart Soree +2

Using Hubbard U corrected density functional theory calculations, lattice Monte-Carlo, and spin-Monte-Carlo simulations, we investigate the impact of dopant clustering on the magne…