New Journal of Physics (Jan 2017)

Oxygen vacancy-induced magnetic moment in edge-sharing CuO2 chains of Li2CuO2−δ

  • G J Shu,
  • J C Tian,
  • C K Lin,
  • M Hayashi,
  • S C Liou,
  • W T Chen,
  • Deniz P Wong,
  • H L Liou,
  • F C Chou

DOI
https://doi.org/10.1088/1367-2630/aa5af2
Journal volume & issue
Vol. 19, no. 2
p. 023026

Abstract

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Li _2 CuO _2 is a typical charge transfer insulator with CuO _2 chains that are composed of edge-shared CuO _4 plaquettes. The existence of oxygen vacancies for single crystals prepared under various oxygen partial pressures has been confirmed by the chemical and thermogravimetric analyses. The puzzling discovery of extra magnetic moment near the oxygen site by earlier neutron scattering studies has been verified by a thorough Curie–Weiss law analysis of spin susceptibilities, and resolved quantitatively with a molecular orbital model of edge-sharing CuO _2 chains containing oxygen vacancies.

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