Ab initio description of the Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ electronic structure

  title={Ab initio description of the Bi\$_2\$Sr\$_2\$CaCu\$_2\$O\$_\{8+\delta\}\$ electronic structure},
  author={J. Nokelainen and C. Lane and R. S. Markiewicz and B. Barbiellini and A. Pulkkinen and B. Singh and J. Sun and K. Pussi and A. Bansil},
  journal={Physical Review B},
  • J. Nokelainen, C. Lane, +6 authors A. Bansil
  • Published 2020
  • Physics, Materials Science
  • Physical Review B
  • 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 (SCAN) exchange correlation functional in Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ reveal the persistence of magnetic moments on the copper ions for oxygen concentrations ranging from the… CONTINUE READING

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