Jahn-Teller calculations for CuO4 and FeO4 clusters in the Nd1.85Ce0.15Cu0.99Fe0.01O4−δ
The Jahn-Teller distortion mechanism in the Nd2−xCe x CuO4 is analyzed. This analysis is based on a quasi-molecular model for the CuO4 cluster havingD4h symmetry. In order to compare with experimental Mössbauer measurements in the doped Nd1.85Ce0.15Cu0.99Fe0.01O4−δ 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.
KeywordsThin Film High Spin Spin State High Spin State Distortion Mechanism
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