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First principles study of magnetic properties of EuTiO3(001) Surfaces with oxygen-deficient

First principles study of magnetic properties of EuTiO3(001) Surfaces with oxygen-deficient,10.1109/ISAF.2011.6014123,Ting-Yuan Wu,Hai-Xia Cao,Lang Fa

First principles study of magnetic properties of EuTiO3(001) Surfaces with oxygen-deficient  
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We have investigated the magnetic reconstruction at the oxygen-deficient EuTiO3 (001) surface based on the first- principles density functional theory calculations. Calculated results show that the ferromagnetic structure becomes stable with and without the oxygen vacancies for EuO-termination surface. Besides, for TiO2-termination surface, it is interesting to see that the G-type antiferromagnetic state is stable without the oxygen vacancies, but the ferromagnetic state becomes stable while the oxygen vacancies appear, which is independent of the concentrations of oxygen vacancies.
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