Localized electronic vacancy level and its effect on the properties of doped manganites
- Juan, Dilson
- Pruneda, Miguel
- Ferrari, Valeria
DOIAbstract
Oxygen vacancies are common to most metal oxides and usually play a crucial role in determining the properties of the host material. In this work, we perform ab initio calculations to study the influence of vacancies in doped manganites La Sr MnO , varying both the vacancy concentration and the chemical composition within the ferromagnetic-metallic range (0.2<x<0.5). We find that oxygen vacancies give rise to a localized electronic level and analyse the effects that the possible occupation of this defect state can have on the physical properties of the host. In particular, we observe a substantial reduction of the exchange energy that favors spin-flipped configurations (local antiferromagnetism), which correlate with the weakening of the do...
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