41 citations · 90 across the 11 of their papers we have counts for
5 papers · 1 filter
Meta-Generalized-Gradient Approximation made Magnetic
Jacques K. Desmarais, Alessandro Erba, Giovanni Vignale +1
The Jacob's ladder of density functional theory (DFT) proposes the compelling view that by extending the form of successful approximations -- being guided by exact conditions and s…
Insulator-Metal Transition and Magnetic Crossover in Bilayer Graphene
Amarnath Chakraborty, Aleksandr Rodin, Shaffique Adam +1
In-plane magnetic fields offer a relatively unexplored opportunity to alter the band structure of stacks of 2D materials so that they exhibit desired physical properties. Here we s…
Electron localization function for non-collinear spins
Jacques K. Desmarais, Giovanni Vignale, Kamel Bencheikh +2
Understanding of bonding is key to modelling materials and predicting properties thereof. A widely adopted indicator of bonds and atomic shells is the electron localization functio…
Observability of cyclotron resonance in the hydrodynamic regime of bilayer graphene
Joseph R. Cruise, Alexander Seidel, Erik Henriksen +1
We offer theoretical predictions for the frequency of the resonant frequency of transport for the hydrodynamic description of bilayer graphene, as well as provide quantification fo…
Spin-currents via the gauge-principle for meta-generalized-gradient exchange-correlation functionals
Jacques K. Desmarais, Jefferson Maul, Bartolomeo Civalleri +3
The prominence of density functional theory (DFT) in the field of electronic structure computation stems from its ability to usefully balance accuracy and computational effort. At…