Efthimios Kaxiras

Optimized pseudopotentials

A plane-wave basis has great advantages for many calculations in the physics solids. To apply this basis to a wider class of materials, the atomic characteristic of a pseudopote...

Superlattice-Induced Insulating States and Valley-Protected Orbits in Twisted Bilayer Graphene

Twisted bilayer graphene (TBLG) is one of the simplest van der Waals heterostructures, yet it yields a complex electronic system with intricate interplay between moiré physics a...

Electronic structure theory of weakly interacting bilayers

We derive electronic structure models for weakly interacting bilayers such as\ngraphene-graphene and graphene-hexagonal boron nitride, based on density\nfunctional theory calcul...

Unconventional superconductivity in magic-angle graphene superlattices

Correlated insulator behaviour at half-filling in magic-angle graphene superlattices