Itinerant Ferromagnetism in p-doped Monolayers of MoS2

Abstract

Density functional theory is used to explore the possibility of inducing impurity band ferromagnetism in monolayers of semiconducting MoS2 by introducing holes into the narrow Mo 4d band that forms the top of the valence band. A large out of plane anisotropy is found for unpaired spins bound to the substitutional acceptor impurities V, Nb and Ta that couple ferromagnetically for all but the shortest separations. Using the separation dependent exchange interactions as input to Monte Carlo calculations, we estimate ordering temperatures as a function of the impurity concentration. For about 9% of V impurities, Curie temperatures in excess of 160 K are predicted. The singlet formation at short separations that limits the ordering temperature is explained and we suggest how it can be circumvented.

6 pages, 4 figures

References in corpus (2)

• Two Dimensional Atomic Crystals
• High-temperature ferromagnetism of $sp$ electrons in narrow impurity bands: Application to CaB${}_6$

Cited by in corpus (4)

• Tunable Ferromagnetism and Thermally Induced Spin Flip in Vanadium-doped Tungsten Diselenide Monolayers at Room Temperature
• DFT study of itinerant ferromagnetism in $p$-doped monolayers of MoS${}_2$
• Antiferromagnetism, spin splitting, and spin-orbit interaction in MnTe
• A DFT study of the structural and electronic properties of single and double acceptor dopants in MX2 monolayers