4 papers
Hartree theory calculations of quasiparticle properties in twisted bilayer graphene
Zachary A. H. Goodwin, Valerio Vitale, Xia Liang +2
A detailed understanding of interacting electrons in twisted bilayer graphene (tBLG) near the magic angle is required to gain insights into the physical origin of the observed brok…
Critical role of device geometry for the phase diagram of twisted bilayer graphene
Zachary A. H. Goodwin, Valerio Vitale, Fabiano Corsetti +3
The effective interaction between electrons in two-dimensional materials can be modified by their environment, enabling control of electronic correlations and phases. Here, we stud…
Automated high-throughput Wannierisation
Valerio Vitale, Giovanni Pizzi, Antimo Marrazzo +3
Maximally-localised Wannier functions (MLWFs) are routinely used to compute from first-principles advanced materials properties that require very dense Brillouin zone integration a…
Wannier90 as a community code: new features and applications
Giovanni Pizzi, Valerio Vitale, Ryotaro Arita +28
Wannier90 is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used electron…