Results of highly precise all-electron local density calculations are presented for the quasi-2D superconductor YBa2Cu3O7 and for the non-superconducting YBa2Cu3O6. The two dimensionality is important for understanding various properties. As in the case of the La2-xMxCuO4 (M = Ba, Sr,…) systems, these materials consist of metallic Cu–O planes separated by ionic (insulating) Y–O and Ba–O planes of atoms. Stoner magnetic instabilities and the role of chains vs planes for superconductivity are briefly discussed.
ASJC Scopus subject areas
- Physics and Astronomy(all)