Theory of nuclear magnetic resonance in graphite and graphite intercalation compounds

Riichiro Saito, Katuyoshi Kobayashi, Masaru Tsukada, Hiroshi Kamimura

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)

Abstract

The calculated results of 13C nuclear magnetic resonance shifts in graphite are presented. First the formulation of calculating the chemical shifts and Knight shifts for metallic energy bands systems developed by our group is reviewed. Then the shielding tensor is calculated based on this formalism with use of energy bands calculated by a numerical basis set LCAO Xα method. The calculated results are compared with a previous calculation of NMR shifts for graphite intercalation compounds. We also suggest a new kind of contribution to the NMR shift from the large Landau diamgnetism in graphite.

Original languageEnglish
Pages (from-to)265-270
Number of pages6
JournalSynthetic Metals
Volume23
Issue number1-4
DOIs
Publication statusPublished - 1988 Mar
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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