Half-metallicity and giant magneto-optical Kerr effect in N-doped NaTaO 3

Y. Saeed, N. Singh, U. Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

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We use density functional theory and the modified Becke-Johnson (mBJ) approach to analyze the electronic and magneto-optical properties of N-doped NaTaO 3. The mBJ results show a half-metallic nature of NaTaO 2N, in contrast to the generalized gradient approximation. We find a giant polar Kerr rotation of 2.16°at 725 nm wave length (visible region), much higher than in other half-metallic perovskites and the prototypical half-metal PtMnSb. We explain the physical origin of this unexpected property.

Original languageBritish English
Pages (from-to)96-98
Number of pages3
JournalChemical Physics Letters
StatePublished - 12 Sep 2012


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