No abstract

Heterostructures can be assembled from atomically thin materials by combining a wide range of available van der Waals crystals, providing exciting possibilities for designer electronics . In many cases, beyond simply realizing new material combinations, interlayer interactions lead to emergent electronic properties that are fundamentally distinct from those of the constituent layers . A critical parameter in these structures is the interlayer coupling strength, but this is often not easy to determine and is typically considered to be a fixed property of the system. Here we demonstrate that we can controllably tune the interlayer separation in van der Waals heterostructures using hydrostatic pressure, providing a dynamic way to modify their electronic properties. In devices in which graphene is encapsulated in boron nitride and aligned with one of the encapsulating layers, we observe that increasing pressure produces a superlinear increase in the moiré-superlattice-induced bandgap-nearly doubling within the studied range-together with an increase in the capacitive gate coupling to the active channel by as much as 25 per cent. Comparison to theoretical modelling highlights the role of atomic-scale structural deformations and how this can be altered with pressure. Our results demonstrate that combining hydrostatic pressure with controlled rotational order provides opportunities for dynamic band-structure engineering in van der Waals heterostructures.

We survey the electronic structure and magnetic properties of two dimensional (2D) MPX 3 (M= V, Cr, Mn, Fe, Co, Ni, Cu, Zn, and X = S, Se, Te) transition metal chalcogenophosphates to shed light on their potential role as single-layer van der Waals materials that possess magnetic order. Our ab initio calculations predict that most of these single-layer materials are antiferromagnetic semiconductors. The band gaps of the antiferromagnetic states decrease as the atomic number of the chalcogen atom increases (from S to Se to Te), leading in some cases to half-metallic ferromagnetic states or to non-magnetic metallic states. We find that the competition between antiferromagnetic and ferromagnetic states can be substantially influenced by gating and by strain engineering. The sensitive interdependence we find between magnetic, structural, and electronic properties establishes the potential of this 2D materials class for applications in spintronics.

Flatbands with extremely narrow bandwidths on the order of a few mili-electron volts can appear in twisted multilayer graphene systems for appropriate system parameters. Here we investigate the electronic structure of a twisted bi-bilayer graphene, or twisted double bilayer graphene, to find the parameter space where isolated flatbands can emerge as a function of twist angle, vertical pressure, and interlayer potential differences. We find that in twisted bi-bilayer graphene the bandwidth is generally flatter than in twisted bilayer graphene by roughly up to a factor of two in the same parameter space of twist angle θ and interlayer coupling ω, making it in principle simpler to tailor narrow bandwidth flatbands. Application of vertical pressure can enhance the first magic angle in minimal models at θ ∼ 1.05 • to larger values of up to θ ∼ 1.5 • when P ∼ 2.5 GPa, where θ ∝ ω/υF . Narrow bandwidths are expected in bi-bilayers for a continuous range of small twist angles, i.e. without magic angles, when intrinsic bilayer gaps open by electric fields, or due to remote hopping terms. We find that moderate vertical electric fields can contribute in lifting the degeneracy of the low energy flatbands by enhancing the primary gap near the Dirac point and the secondary gap with the higher energy bands. Distinct valley Chern bands are expected near 0 • or 180 • alignments.