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• W2020130250 abstract "We perform the ab initio calculations of the absorption and optical magnetic circular dichroism (MCD) spectra for the Co-doped anatase and rutile ${mathrm{TiO}}_{2}$ systems. The obtained MCD spectra correlate well with the absorption spectra, and both are in agreement with the experimental measurements, indicating that the substitutional supercell model is proper for simulating such doping systems. The positive MCD signals around the absorption edge and critical points means the $p$-$d$ exchange interaction between the O $2p$ and Co $3d$ electrons should be ferromagnetic. The results show that the MCD signals do come from the energy band structure, supporting the intrinsic ferromagnetism in the Co-doped ${mathrm{TiO}}_{2}$ systems." @default.
• W2020130250 created "2016-06-24" @default.
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• W2020130250 date "2006-03-13" @default.
• W2020130250 modified "2023-10-12" @default.
• W2020130250 title "First principles investigation of the magnetic circular dichroism spectra of Co-doped anatase and rutile<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mi>TiO</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>" @default.
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• W2020130250 doi "https://doi.org/10.1103/physrevb.73.121201" @default.
• W2020130250 hasPublicationYear "2006" @default.
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