Electronic and Optical Properties of Antiferromagnetic Iron Doped NiO - A First Principles Study

Date

2017-02

Authors

Petersen, John E.
Twaglrayezu, Fidele
Scolfaro, Luisa M.
Borges, Pablo D.
Geerts, Wilhelmus J.

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AIP Publishing

Abstract

Antiferromagnetic NiO is a candidate for next generation high-speed and scaled RRAM devices. Here, electronic and optical properties of antiferromagnetic NiO: Fe 25% in the rock salt structure are studied and compared to intrinsic NiO. From density of states and complex dielectric function analysis, the first optical transition is found to be at lower frequency than intrinsic NiO due to an Fe impurity level being the valence band maximum. The resulting effects on refractive index, reflectivity, absorption, optical conductivity and loss function for Fe-doped NiO are compared to those of intrinsic NiO, and notable differences are analyzed. The electronic component of the static dielectric constant of NiO: Fe 25% is calculated to be about 2% less than that of intrinsic NiO.

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Keywords

antiferromagnetic iron, NiO, electronic properties, optical properties, Physics

Citation

Petersen, J. E., Twagirayezu, F., Scolfaro, L. M., Borges, P. D. & Geerts, W. J., 2017, Electronic and optical properties of antiferromagnetic iron doped NiO - A first principles study. AIP Advances, 7, 055711.

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This work is licensed under a Creative Commons Attribution 4.0 International License.

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