Electronic structure and optical band gap determination of NiFe2O4

Meinert M, Reiss G (2014)
Journal of Physics Condensed Matter 26(11).

Journal Article | Published | English

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Abstract
In a theoretical study we investigate the electronic structure and band gap of the inverse spinel ferrite NiFe2O4. The experimental optical absorption spectrum is accurately reproduced by fitting the Tran-Blaha parameter in the modified Becke-Johnson potential. The accuracy of the commonly applied Tauc plot to find the optical gap is assessed based on the computed spectra and we find that this approach can lead to a misinterpretation of the experimental data. The minimum gap of NiFe2O4 is found to be a 1.53 eV wide indirect gap, which is located in the minority spin channel.
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Meinert M, Reiss G. Electronic structure and optical band gap determination of NiFe2O4. Journal of Physics Condensed Matter. 2014;26(11).
Meinert, M., & Reiss, G. (2014). Electronic structure and optical band gap determination of NiFe2O4. Journal of Physics Condensed Matter, 26(11).
Meinert, M., and Reiss, G. (2014). Electronic structure and optical band gap determination of NiFe2O4. Journal of Physics Condensed Matter 26.
Meinert, M., & Reiss, G., 2014. Electronic structure and optical band gap determination of NiFe2O4. Journal of Physics Condensed Matter, 26(11).
M. Meinert and G. Reiss, “Electronic structure and optical band gap determination of NiFe2O4”, Journal of Physics Condensed Matter, vol. 26, 2014.
Meinert, M., Reiss, G.: Electronic structure and optical band gap determination of NiFe2O4. Journal of Physics Condensed Matter. 26, (2014).
Meinert, Markus, and Reiss, Günter. “Electronic structure and optical band gap determination of NiFe2O4”. Journal of Physics Condensed Matter 26.11 (2014).
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PMID: 24589744
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