Electronic and optical properties of antiferromagnetic iron doped NiO – A first principles study
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.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Feb 06, 2017
- Source ID
- 10.1063/1.4975493
Entities
People
- Fidele Twagirayezu
- John E. Petersen
- Luisa Scolfaro
- Pablo D Borges
- Wilhelmus Geerts
Organizations
- Federal University of Viçosa
- Texas State University
- United States Department of Defense