The electronic and magnetic properties of CeO2 with various concentrations of

oxygen vacancies were studied by first-principles calculations within the LSDA+U

method and were found to remarkably depend on the oxygen vacancy

concentration. With increasing oxygen deficiency, the electrons left behind by

oxygen removal not only localize on Ce 4f orbitals but also on the vacancy sites.

This leads to the magnetic mechanism with both superexchange and polarization in

the cases of heavy doping, effectively enhancing the stability of ferromagnetism.

The study revealed the magnetic properties and associated magnetic mechanisms of

CeO2 with the different oxygen deficiencies.

Oxygen-Vacancy-Induced Ferromagnetism in CeO2 from First Principles. X.Han,

J.Lee, H.I.Yoo: Physical Review B, 2009, 79[10], 100403