Theoretical Investigations of Color Centers in Alkali Azides.

Abstract

Theoretical investigations of color centers in alkali azides included a nonlocal pseudopotential calculation for the F center in NaN3, and an ab-initio molecular orbital calculation with configuration interaction for N4- in KN3 (in progress). Supporting experiments correlating polarized optical and ESR spectra in NaN3 suggests self-trapped holes (N3), including exchange-coupled pairs.

Document Details

Document Type
Technical Report
Publication Date
Jul 01, 1975
Accession Number
ADA013548

Entities

People

  • Ralph H. Bartram

Organizations

  • University of Connecticut

Tags

DTIC Thesaurus Topics

  • Color Centers
  • Crystal Defects
  • Crystal Lattices
  • Crystal Structure
  • Spectra

Fields of Study

  • Physics

Readers

  • Atmospheric Remote Sensing.
  • Materials Science and Engineering.
  • Quantum Chemistry

Technology Areas

  • Space