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Nickelate Structural Instabilities Analysis by Atal Bihari Swain is a document available to read on EtoBox.
This document discusses the structural instabilities of infinite-layer nickelates, particularly YNiO2, using first-principles simulations. It identifies that these materials exhibit O4 group rotations influenced by cation size mismatch and can be tuned by external factors like pressure or strain. The study reveals that hydrogen intercalation promotes octahedra rotations and opens a finite band gap, contributing to the understanding of superconductivity in these compounds.
- Author
- Atal Bihari Swain
- Language
- EN