Author

Klaus Doll

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Open access Sep 2026

Energy Landscape and Electronic Properties of Yttrium Oxysulfide (Y2O2S)

This study investigates the electronic properties and crystalline phases of yttrium oxysulfide (Y2O2S) using theoretical computational methods. A crystal structure prediction was employed to explore the compound’s energy landscape. A global optimization using empirical potentials was performed, followed by a local opti...

D. Jordanov, J. Zagorac, J. Schön et al. · Materials · 0 citations