Concept
Tight binding
Publications associées (191)
Electronic transport in graphene with out-of-plane disorder
Real-world samples of graphene often exhibit various types of out-of-plane disorder-ripples, wrinkles and folds-introduced at the stage of growth and transfer processes. These complex out-of-plane defects resulting from the interplay between self-adhesion ...
Berlin2024Automated mixing of maximally localized Wannier functions into target manifolds
Nicola Marzari, Giovanni Pizzi, Junfeng Qiao
Maximally localized Wannier functions (MLWFs) are widely used in electronic-structure calculations. We have recently developed automated approaches to generate MLWFs that represent natural tight-binding sets of atomic-like orbitals; these describe accurate ...
Berlin2023Spin, Charge, and ?-Spin Separation in One-Dimensional Photodoped Mott Insulators
We show that effectively cold metastable states in one-dimensional photodoped Mott insulators described by the extended Hubbard model exhibit spin, charge, and q-spin separation. Their wave functions in the large on-site Coulomb interaction limit can be ex ...
AMER PHYSICAL SOC2023