Piezoelectric electrostatic superlattices in monolayer MoS2

Modulation of electronic properties of materials by electric fields is central to the operation of modern semiconductor devices, providing access to complex electronic behaviors and greater freedom in tuning the energy bands of materials. Here, we explore one-dimensional superlattices induced by a confining electrostatic potential in monolayer MoS2, a prototypical two-dimensional semiconductor. Using first-principles calculations, we show that periodic potentials applied to monolayer MoS2 induce electrostatic superlattices in which the response is dominated by structural distortions relative to purely electronic effects. These structural distortions reduce the intrinsic band gap of the monolayer substantially while also polarizing the monolayer through piezoelectric coupling, resulting in spatial separation of charge carriers as well as Stark shifts that produce dispersive minibands. Importantly, these minibands inherit the valley-selective magnetic properties of monolayer MoS2, enabling fine control over spin-valley coupling in MoS2 and similar transition-metal dichalcogenides.