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cond-mat.mtrl-sci2023
Substrate Induced van der Waals Force Effect on the Stability of Violet Phosphorous
Sarabpreet Singh, Mahdi Ghafariasl, Hsin-Yu Ko +4
The van der Waals (vdWs) forces between monolayers has been a unique distinguishing feature of exfoliable materials since the first isolation of graphene. However, the vdWs interac…
cond-mat.mtrl-sci2023★ 2 cited
An unambiguous and robust formulation for Wannier localization
Kangbo Li, Hsin-Yu Ko, Robert A. DiStasio +1
We provide a new variational definition for the spread of an orbital under periodic boundary conditions (PBCs) that is continuous with respect to the gauge, consistent in the therm…