303 citations · 1.2k across the 32 of their papers we have counts for
14 papers · 1 filter
Correlated Insulating States and Transport Signature of Superconductivity in Twisted Trilayer Graphene Moiré of Moiré Superlattices
Kan-Ting Tsai, Xi Zhang, Ziyan Zhu +5
Layers of two-dimensional materials stacked with a small twist-angle give rise to beating periodic patterns on a scale much larger than the original lattice, referred to as a moiré…
Effects of Lithium Intercalation in Twisted Bilayer Graphene
Daniel T. Larson, Stephen Carr, Georgios A. Tritsaris +1
We investigate the effects of lithium intercalation in twisted bilayers of graphene, using first-principles electronic structure calculations. To model this system we employ commen…
Moiré of Moiré: Modeling Mechanical Relaxation in Incommensurate Trilayer van der Waals Heterostructures
Ziyan Zhu, Paul Cazeaux, Mitchell Luskin +1
The incommensurate stacking of multi-layered two-dimensional materials is a challenging problem from a theoretical perspective and an intriguing avenue for manipulating their physi…
Predicting outcomes of catalytic reactions using machine learning
Trevor David Rhone, Robert Hoyt, Christopher R. O'Connor +4
Predicting the outcome of a chemical reaction using efficient computational models can be used to develop high-throughput screening techniques. This can significantly reduce the nu…
Angle-Dependent {\it Ab initio} Low-Energy Hamiltonians for a Relaxed Twisted Bilayer Graphene Heterostructure
Shiang Fang, Stephen Carr, Ziyan Zhu +2
We present efficient angle-dependent low-energy Hamiltonians to describe the properties of the twisted bilayer graphene (tBLG) heterostructure, based on {\it ab initio} calculation…
Derivation of Wannier orbitals and minimal-basis tight-binding hamiltonians for twisted bilayer graphene: a first-principles approach
Stephen Carr, Shiang Fang, Hoi Chun Po +2
Twisted bilayer graphene (TBLG) has emerged as an important platform for studying correlated phenomena, including unconventional superconductivity, in two-dimensional systems. The…