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Ab initio description of the ${\mathrm{Bi}}_{2}{\mathrm{Sr}}_{2}{\mathrm{CaCu}}_{2}{\mathrm{O}}_{8+{\delta}}$ electronic structure

Nokelainen, Johannes ; Lane, Christopher ; Markiewicz, Robert S. ; Barbiellini, Bernardo ; Pulkkinen, Aki ; Singh, Bahadur ; Sun, Jianwei ; Pussi, Katariina ; Bansil, Arun

In: Physical Review B, 2020, vol. 101, no. 21, p. 214523

Bi-based cuprate superconductors are important materials for both fundamental research and applications. As in other cuprates, the superconducting phase in the Bi compounds lies close to an antiferromagnetic phase. Our density functional theory calculations based on the strongly-constrained-and- appropriately-normed exchange correlation functional in ...