Theory on super moiré tessellations and reconfigurable quantum dot arrays in twisted trilayer hexagonal boron nitride

A large, controllable set of quantum states is crucial for quantum information applications, as demonstrated in systems such as arrays of neutral atoms or trapped ions. Well-ordered quantum dots also hold great promises for such applications. However, their large-scale homogeneous fabrication and reconfigurations remain important challenges. To explore such possibilities in multilayered moiré materials, we developed new methodologies capable of attaining a first-principles level of accuracy in calculating relaxed structures and electronic properties of a few million atoms [1]. Using these methods, we predict that twisted trilayer hexagonal boron nitride can host various moiré-of-moiré or super moiré domain superstructures as well as the well-defined arrays of localized quantum harmonic oscillator states, or quantum dots [2]. Since polar and non-polar stacking domains coexist in various symmetries, the quantum dot arrays can be reconfigured via external electric fields, an absent feature in the bilayer counterpart. This tunability suggests their substantial potential for unique quantum applications.