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.

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Document Details

Document Type
Technical Report
Publication Date
Feb 06, 2017
Accession Number
AD1069588

Entities

People

  • Fidale Twagirayezu
  • John E. Petersen
  • Luisa Scolfaro
  • Pablo D Borges
  • Wilhelmus Geerts

Organizations

  • Texas State University

Tags

Communities of Interest

  • Advanced Electronics
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Band Gaps
  • Band Structures
  • Conduction Bands
  • Crystal Structure
  • Density Functional Theory
  • Dielectric Permittivity
  • Energy Bands
  • Magnetic Properties
  • Materials
  • Materials Science
  • Optical Properties
  • Physical Properties
  • Reflectivity
  • Refractive Index
  • Solid State Physics
  • Subatomic Particles
  • Valence Bands

Fields of Study

  • Materials science
  • Physics

Readers

  • Materials Science and Engineering.
  • Mathematics or Statistics

Technology Areas

  • AI & ML
  • AI & ML - Machine Learning Algorithms
  • Microelectronics
  • Microelectronics - Graphene