Sandro G. Holanda

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Papers on Lattice

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Publication activitypapers/week, last 8 weeks

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B. Ipaves (1)A. Campos-Mata (1)Shreyasi Chattopadhyay (1)P. Ajayan (1)D. S. Galvão (1)Marcelo L. Pereira (1)

Papers (1)

Sep 28, 2026

Affiliation:2w ago

Facet- and thickness-dependent band-edge alignment at ZrSe\texorpdfstring{$_3$}{3} surfaces: hybrid-functional calculations with spin-orbit coupling

Breaking the Se–Se dimer controls whether a ZrSe$_3$ facet remains semiconducting or turns metallic, establishing an intuitive structural descriptor that governs facet-dependent band offsets across the entire transition-metal trichalcogenide family.

Sandro G. Holanda, B. Ipaves, A. Campos-Mata +4

Sandro G. Holanda

Publication activitypapers/week, last 8 weeks

Frequent co-authors

Papers (1)

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Sandro G. Holanda

Publication activitypapers/week, last 8 weeks

Frequent co-authors

Papers (1)