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Topological bands in the PdSe2 pentagonal monolayer
The electronic structure of monolayer pentagonal palladium diselenide (PdSe2) is analyzed from the topological band theory perspective. Employing first-principles calculations, effective models and symmetry indicators, we ...
Impact of different structural defects on fundamental properties of blue phosphorene nanotubes
Using density functional theory, we present the effect of different structural defects on electronic and optical properties of blue phosphorene nanotubes of both armchair and zigzag chirality. In addition, we have considered ...