Half-metallicity and giant magneto-optical Kerr effect in N-doped NaTaO3

Yasir Saeed, Nirpendra Singh, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

3 Scopus citations


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. © 2012 Elsevier B.V. All rights reserved.
Original languageEnglish (US)
Pages (from-to)96-98
Number of pages3
JournalChemical Physics Letters
StatePublished - Sep 2012

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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