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What is d-Band Hybridization in Ca2-xSrxRuO4 about?

The study investigates the effects of RuO6 rotation on the electronic structure of metallic Ca2-x Srx RuO4 through first-principles calculations. It reveals strong hybridization between dxy and dx2-y2 bands, leading to significant modifications in the dxy band near the Fermi level and a reconstructed Fermi surface at x ≈ 0.5. The findings suggest that the changes in magnetic, optical, and thermal properties of Ca2-x Srx RuO4 are closely linked to the dxy band behavior.

Author

marsseo7653

Language

EN