Regulated the ferromagnetism of In2O3 quantum dots by non-stoichiometry compositions

• DOI: 10.1016/j.rinp.2023.106513
• Publication Date: 2023-05-09T20:07:18Z
• Authors: Haibin Wang; Zheng Zhou; Juangang Zhao; Fuming Du; Pinzhen Jia
• Keywords: Dangling bond; Stoichiometry; Passivation

Due to different versions of ferromagnetic origin, the magnetic properties oxide diluted semiconductor (ODMS) cannot be accurately determined. We have systematically investigate and electronic structure In2O3 quantum dots (Qds) with non-stoichiometry ratio by first-principle method band-structure calculations. For sake contrastive analysis, some models are proposed passivate surface dangling bonds pseudo-hydrogen atoms. find that: (i), oxygen atoms on Qds can induce 6 μB moments due imbalanced chemical proportion. Spin polarization energy is as low −763 eV. (ii), internal cation vacancy moment, while anionic or hanging bond passivated produce moment; (iii), it has broken balance doping cobalt where moment mainly local area in a little distributed special O which binding Co All three kinds above results indicate that compositions play an roles effect Qds.