DFT study identifies atom-unrelated interstitial E* band providing self-doping to Ni1.09+ in La3Ni2O5F, yielding anomalous magnetic behavior with no transition due to 2D fluctuations.
One evident impact is to provide some intrinsic electron self-doping of the cell, hence hole-doping of the Ni ion
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Anomalous Behavior of the Ni$^{1+}$ moment and interstitial band in bi-infinite-layered La$_3$Ni$_2$O$_5$F
DFT study identifies atom-unrelated interstitial E* band providing self-doping to Ni1.09+ in La3Ni2O5F, yielding anomalous magnetic behavior with no transition due to 2D fluctuations.