The effect of oxygen vacancy on magnetism of geometrically frustrated triangular lattice CuFeO2: Ab initio study

Journal of Magnetism and Magnetic Materials(2019)

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摘要
•The oxygen vacancy can lead to change in valence of Fe and Cu ion.•The stability of AFM structure enhance when the oxygen vacancy appears.•There exist a powerful magnetoelectric coupling effect in CFO-vO crystal.
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关键词
CuFeO2,Oxygen vacancy,Magnetism,Ab initio
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