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Bennett Lab Theory and Simulation of Quantum Materials

Bennett Lab

Theory and Simulation of Quantum Materials

Nanyang Technological University, Singapore

Our group explores how complex behaviour emerges from atomic and electronic interactions in quantum materials.

We focus on low-dimensional layered “van der Waals” systems, where stacking, twisting and subtle lattice distortions can produce new electronic, polar and magnetic phases. Using a combination of theory and first-principles calculations, we:

  • Discover new mechanisms for ferroelectricity and multiferroic order in layered materials,
  • develop and apply theory and simulations for twisted moirĂ© materials,
  • carry out large-scale simulations of functional properties in low-dimensional layered systems, and
  • construct effective models for the low-energy electronic structure of moirĂ© and layered materials.

Our goal is to turn these insights into design rules for multi-functional devices, linking microscopic physics to macroscopic functionalities.

Topological Polarization
Topological Polarization
Meron and antimeron networks in the polar domain structure of a twisted bilayer.
Twisted Bilayer Graphene
Wavefunctions of the low energy bands at the magic angle, from first principles.
Multiferroic Order in 2D Magnets
Stacking two van der Waals layers breaks inversion symmetry and gives magnetoelectric coupling.
Sliding Ferroelectricity
Polarization switches by sliding, which survives far more cycles than a conventional ferroelectric.