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

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dc.contributor.authorPetersen, John E.
dc.contributor.authorTwaglrayezu, Fidele
dc.contributor.authorScolfaro, Luisa M.
dc.contributor.authorBorges, Pablo D.
dc.contributor.authorGeerts, Wilhelmus J.
dc.date.accessioned2019-04-09T17:53:35Z
dc.date.available2019-04-09T17:53:35Z
dc.date.issued2017-02
dc.description.abstractAntiferromagnetic 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.
dc.description.departmentPhysics
dc.formatText
dc.format.extent5 pages
dc.format.medium1 file (.pdf)
dc.identifier.citationPetersen, 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.
dc.identifier.doihttp://dx.doi.org/10.1063/1.4975493
dc.identifier.urihttps://hdl.handle.net/10877/7964
dc.language.isoen
dc.publisherAIP Publishing
dc.rights.licenseThis work is licensed under a Creative Commons Attribution 4.0 International License.
dc.sourceAIP Advances, 2017, Vol. 7, Article 055711.
dc.subjectantiferromagnetic iron
dc.subjectNiO
dc.subjectelectronic properties
dc.subjectoptical properties
dc.subjectPhysics
dc.titleElectronic and Optical Properties of Antiferromagnetic Iron Doped NiO - A First Principles Study
dc.typeArticle

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