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Figure 4
Total (black solid lines) and partial (dashed coloured lines) DOS for La0.875Ca0.125FeO3 (top) and for La0.5Ca0.5FeO3 (bottom). The dashed vertical lines represent the Fermi levels (set to 0 eV). The total DOS for the undoped bulk is shown as a grey area for reference. The insets show the region around the Fermi level. States above the x axis (positive values) correspond to states of spin-up electrons, while states below the x axis (negative values) correspond to states of spin-down electrons. For Fe3+ and Fe4+ in the lower figure, only one spin is shown and the antiferromagnetic counterparts have been omitted.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 76| Part 6| December 2020| Pages 1055-1070
https://doi.org/10.1107/S2052520620013475
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