9 citations · 15 across the 2 of their papers we have counts for
3 papers · 1 filter
Fully Automated Wannier Disentanglement via Projectability Selection in Gaussian and Augmented Plane-Wave Frameworks
William P. Comaskey, Jose L. Mendoza-Cortes
Constructing the frozen manifold for entangled bands requires balancing exact reproduction of the target bands with sufficient variational freedom to build a well-localized subspac…
How Can We Engineer Electronic Transitions Through Twisting and Stacking in TMDC Bilayers and Heterostructures? A First-Principles Approach
Yu-Hsiu Lin, William P. Comaskey, Jose L. Mendoza-Cortes
Layered two-dimensional (2D) materials exhibit unique properties, expanding opportunities in material design. We investigate MX transition metal dichalcogenides (TMDCs) (M = Mo…
Spin Current Density Functional Theory of the Quantum Spin-Hall Phase
William P. Comaskey, Filippo Bodo, Alessandro Erba +2
The spin current density functional theory (SCDFT) is the generalization of the standard DFT to treat a fermionic system embedded in the effective external field produced by the sp…