Theory of nuclear magnetic resonance in graphite and graphite intercalation compounds

Riichiro Saito; Katuyoshi Kobayashi; Masaru Tsukada; Hiroshi Kamimura

doi:10.1016/0379-6779(88)90493-6

Theory of nuclear magnetic resonance in graphite and graphite intercalation compounds

Riichiro Saito, Katuyoshi Kobayashi, Masaru Tsukada, Hiroshi Kamimura

Research output: Contribution to journal › Article › peer-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 language	English
Pages (from-to)	265-270
Number of pages	6
Journal	Synthetic Metals
Volume	23
Issue number	1-4
DOIs	https://doi.org/10.1016/0379-6779(88)90493-6
Publication status	Published - 1988 Mar
Externally published	Yes

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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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.",

author = "Riichiro Saito and Katuyoshi Kobayashi and Masaru Tsukada and Hiroshi Kamimura",

year = "1988",

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doi = "10.1016/0379-6779(88)90493-6",

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T1 - Theory of nuclear magnetic resonance in graphite and graphite intercalation compounds

AU - Saito, Riichiro

AU - Kobayashi, Katuyoshi

AU - Tsukada, Masaru

AU - Kamimura, Hiroshi

PY - 1988/3

Y1 - 1988/3

N2 - 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.

AB - 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.

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JO - Synthetic Metals

JF - Synthetic Metals

IS - 1-4

ER -

Theory of nuclear magnetic resonance in graphite and graphite intercalation compounds

Abstract

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