Theoretical Investigations of Color Centers in Alkali Azides.

Abstract

Theoretical investigations of color centers in alkali azides included point-ion calculations for F and F2(+) centers in NaN3, and an ab-initio molecular orbital calculation for N2(-) in NaN3. Calculated energy levels and spin-Hamiltonian parameters were compared with optical and ESR spectra. Supporting experiments correlated polarized optical and ESR spectra in NaN3, KN3, and RbN3 via isochronal annealing, and optical absorption bands were identified for both N2(-) and N4(-) defects. Non-local pseudopotential calcualtions for the F center in NaN3 are in progress.

Document Details

Document Type
Technical Report
Publication Date
Nov 29, 1974
Accession Number
ADA004025

Entities

People

  • Ralph H. Bartram

Organizations

  • University of Connecticut

Tags

DTIC Thesaurus Topics

  • Absorption
  • Annealing
  • Color Centers
  • Crystal Defects
  • Crystal Lattices
  • Crystal Structure
  • Energy Levels
  • Optical Absorption
  • Point Defects
  • Spectra

Fields of Study

  • Physics

Readers

  • Materials Science and Engineering.
  • Mechanical Engineering/Mechanics of Materials.
  • Quantum Chemistry

Technology Areas

  • Space