Ab initio simulation of spin-charge qubits based on bilayer graphene-WSe2 quantum dots

We propose a spin-charge qubit based on a bilayer graphene and WSe2 van der Waals heterostructure that together form a quantum dot and demonstrate its functionality from first-principles simulations. Electron and hole confinement as well as electrically controllable spin-orbit coupling (SOC) are modeled by self-consistently solving the Schrödinger and Poisson equations with material parameters extracted from density functional theory as inputs. In both electron and hole quantum dots, we find a two orders of magnitude enhancement of SOC (1.8 meV) compared to intrinsic graphene, in the layer directly adjacent to WSe2. Time-dependent investigations of the quantum device reveal rapid qubit gate operation in the order of picoseconds. Our simulations indicate that bilayer graphene and WSe2 heterostructures provide a promising platform for the processing of quantum information.

Recommended citation: Ge, H., Koopmann, P., Mrcarica, F. et al. Ab initio simulation of spin-charge qubits based on bilayer graphene-WSe2 quantum dots. npj 2D Mater Appl 9, 47 (2025). https://doi.org/10.1038/s41699-025-00568-y
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