Bilayer MoS2 quantum dots with tunable magnetism and spin

Abstract

Defects can alter the electronic, magnetic and spintronic properties of single- and few-layer MoS2 which are two-dimensional semiconductors with nonzero bandgaps. Here we discover by first-principles calculations with density functional theory that stacking faults with different rotational angles in bilayer MoS2 quantum dots modulate quantitatively the magnetism of the dots and the distributions of the spins and energy levels in their electronic structures. Our results suggest an avenue to design and tailor MoS2 quantum dots for electronics, optoelectronics, magnetics and spintronics.