Transition metal substituted MoS2/WS2 van der Waals heterostructure for realization of dilute magnetic semiconductors

Abstract

Atomically thin doped two dimensional (2D) layered materials manifest excellent magnetic features beneficial to the potential applications in spintronics. With the implementation of extensive first principles calculations, we demonstrate the MS2 (M = Mo, W) monolayers, as well as their van der Waals (vdW) hetero-bilayers as promising candidates for the successful realization of 2D dilute magnetic semiconductors with the incorporation of Mn and Co dopants. Under various pairwise doping configurations at different host atom sites, we report the electronic properties modifications induced change in magnetic exchange interactions. The magnetic coupling among the dopant pairs can be tuned between FM and AFM orderings via suitable doping adjustments. The developed interlayer exchange coupling between the vdW layers leads to strong and long-ranged ferromagnetic interactions which unleash robust magnetic moments with stable doping configurations. Our findings address the novel magnetic behavior of the layered vdW heterostructures and may further guide the future experimental efforts for the possible applications in modern electronics and nanoscale magnetic storage devices.