JAHN-TELLER CALCULATIONS FOR CUO4 AND FEO4 CLUSTERS IN THE ND1.85CE0.15CU0.99FE0.01O4-DELTA

Abstract

The Jahn-Teller distortion mechanism in the Nd2-xCexCuO4 is analyzed. This analysis is based on a quasi-molecular model for the CuO4 cluster having D4h symmetry. In order to compare with experimental Mossbauer measurements in the doped Nd1.85Ce0.15Cu0.99Fe0.01 O4-delta superconductor, the FeO4 cluster is also analyzed for the case of Fe2+ in the high spin state. The results show not evidence of a Jahn-Teller effect in these superconductors.