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Compression of Wannier functions into Gaussian-type orbitals
Bakhta Athmane, Cancès Eric, Cazeaux Paul +2
We propose a greedy algorithm for the compression of Wannier functions into Gaussian-polynomials orbitals. The so-obtained compressed Wannier functions can be stored in a very comp…
Enhanced Superconductivity and Suppression of Charge-density Wave Order in 2H-TaS in the Two-dimensional Limit
Yafang Yang, Shiang Fang, Valla Fatemi +6
As superconductors are thinned down to the 2D limit, their critical temperature typically decreases. Here we report the opposite behavior, a substantial enhancement of …
Electronic Structure Theory of Strained Two-Dimensional Materials with Hexagonal Symmetry
Shiang Fang, Stephen Carr, Miguel A. Cazalilla +1
We derive electronic tight-binding Hamiltonians for strained graphene, hexagonal boron nitride and transition metal dichalcogenides based on Wannier transformation of {\it ab initi…