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Electronic structure of CeBa 2 Cu 3 O 7
Author(s) -
Łuszczek M.,
Laskowski R.
Publication year - 2003
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200301834
Subject(s) - superconductivity , stoichiometry , electronic structure , condensed matter physics , electronic band structure , phase (matter) , materials science , spin (aerodynamics) , band gap , crystallography , chemistry , physics , thermodynamics , organic chemistry
The linearized augmented plane wave (LAPW) method was used for spin‐polarized self‐consistent electronic structure calculations of CeBa 2 Cu 3 O 7 (not synthesized as a single phase yet) and compared with three other members of the ReBa 2 Cu 3 O 7 (denoted as Re123) family of compounds: Y123 (superconducting), Nd123 (superconducting) and Pr123 (potentially‐superconducting). The obtained band structures are qualitatively similar. We hypothesize that the spin‐split band structure observed in Pr123 and Ce123 could indicate the potential off‐stoichiometry, substitutional defects and as a consequence the suppression of superconductivity in the former, and the failure of single phase synthesis in the last system.