Electronic structure and optical band gap determination of NiFe2O4

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

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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Abstract / Bemerkung
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.
Stichworte
inverse spinel; optical absorption; band gap; NiFe2O4; band structure
Erscheinungsjahr
2014
Zeitschriftentitel
Journal of Physics Condensed Matter
Band
26
Ausgabe
11
ISSN
0953-8984
eISSN
1361-648X
Page URI
https://pub.uni-bielefeld.de/record/2673620

Zitieren

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). doi:10.1088/0953-8984/26/11/115503
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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