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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…
Resonant and Bound States of Charged Defects in Two-Dimensional Semiconductors
Martik Aghajanian, Bruno Schuler, Katherine A. Cochrane +6
A detailed understanding of charged defects in two-dimensional semiconductors is needed for the development of ultrathin electronic devices. Here, we study negatively charged accep…
Attractive electron-electron interactions from internal screening in magic angle twisted bilayer graphene
Zachary A. H. Goodwin, Fabiano Corsetti, Arash A. Mostofi +1
Twisted bilayer graphene (tBLG) has recently emerged as a new platform for studying electron correlations, the strength of which can be controlled via the twist angle. Here, we stu…
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…
Twist-angle dependence of electron correlations in moiré graphene bilayers
Zachary A. H. Goodwin, Fabiano Corsetti, Arash A. Mostofi +1
Motivated by the recent observation of correlated insulator states and unconventional superconductivity in twisted bilayer graphene, we study the dependence of electron correlation…