TY - JOUR
T1 - Hyperfine interactions in iron substituted high-Tc superconducting oxides
AU - Ellis, D. E.
AU - Baggio Saitovitch, E.
AU - Lam, D. J.
N1 - Funding Information:
We thank G.L. Goodman and B.D. Dunlap for helpful discussions. This work was supported in part by the US National Science Foundation and CNP,, Brazil, through the US-Brazil International Program. Travel support from FAPERJ, Rio de Janeiro is acknowledged.W ork at Argonne was supportedb y the Dept. of Energy, Basic Energy Sciences-Material Sciences,u nder contract #W-31-109-ENG-38. Work at Northwestern University was supported under contract DOE-FG02-84ER45097. Computations were carried out in part at the Laboratorio National de Computacao Cientifica, Rio de Janeiro.
PY - 1992/7/20
Y1 - 1992/7/20
N2 - The hyperfine interactions in Fe substituted copper oxide ternary and quaternary compounds with perovskite-related structures are studied, using the local density theory in an embedded cluster approach. The self-consistent electronic structure is examined for Cu and Fe sites in a number of plausible local geometries representative of La2CuO4, YBa2Cu3O7-δ and related materials. Mössbauer isomer shifts, electric field gradients, magnetic moments and contact hyperfine fields are presented for comparison with experiment and discussed in light of lattice structure data.
AB - The hyperfine interactions in Fe substituted copper oxide ternary and quaternary compounds with perovskite-related structures are studied, using the local density theory in an embedded cluster approach. The self-consistent electronic structure is examined for Cu and Fe sites in a number of plausible local geometries representative of La2CuO4, YBa2Cu3O7-δ and related materials. Mössbauer isomer shifts, electric field gradients, magnetic moments and contact hyperfine fields are presented for comparison with experiment and discussed in light of lattice structure data.
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U2 - 10.1016/0921-4534(92)90266-F
DO - 10.1016/0921-4534(92)90266-F
M3 - Article
AN - SCOPUS:0026899876
SN - 0921-4534
VL - 198
SP - 57
EP - 69
JO - Physica C: Superconductivity and its applications
JF - Physica C: Superconductivity and its applications
IS - 1-2
ER -