Stoichiometry and defect structure control in the ternary lithium nitridometalates Li3-x-yNixN

Zlatka Stoeva, Ronald I. Smith, Duncan H. Gregory

Research output: Contribution to journalArticle

22 Citations (Scopus)

Abstract

A comprehensive study of the system Li3-x-yNixN has investigated systematically the way in which synthesis parameters can be utilized to control stoichiometry and structure. Powder neutron diffraction and SQUID magnetometry have been used to characterize several representative compounds (with 0 < x < 1) in the ternary phase system. The results show that processing conditions such as reaction time and temperature have profound effects on the levels of lithium vacancies (y) that, in a manner similar to lithium nitride (Li3N) itself, are randomly distributed across lithium sites within the hexagonal [Li2-yN] planes. Nickel occupies the interplanar site with lithium irrespective of the doping level, x, or the synthesis conditions applied. The magnetic behavior evolves from localized Curie-Weiss-type to delocalized Pauli paramagnetic with increased nickel substitution levels. The concentration of lithium vacancies, however, appears to have no profound effect on the magnetic and electronic properties. The results suggest that increasing y at constant x most probably leads to the formation of holes in bands with nitrogen 2p character rather than in localized nickel 3d bands.

Original languageEnglish
Pages (from-to)313-320
Number of pages8
JournalChemistry of Materials
Volume18
Issue number2
DOIs
Publication statusPublished - Jan 24 2006
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry

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