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Updated: Sep 6, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Topological bands in the PdSe2 pentagonal monolayer
Sergio Bravo1, M Pacheco1, J D Correa2
1Departamento de Física, Universidad Técnica Federico Santa María, Valparaíso, Chile. monica.pacheco@usm.cl.
Abstract:
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 find that the low-lying conduction bands are topologically nontrivial, protected by time reversal and crystalline symmetries. Numerical evidence supporting the nontrivial character of the bands is presented. Furthermore, we obtain a relevant physical response from the topological viewpoint, such as the spin Hall conductivity.
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