Band Structures and Charge Distributions along the c-Axis of Higher Stage Graphite Intercalation Compounds

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概要

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• Self-consistent non-empirical calculations of band structures of higher stagegraphite intercalation compounds have been performed up tc>the 6-th stage byusing the numerical-basis-set LCAO method. The calculations are carried outfor a thin film of n contiguous graphite layers bounded by two ionized intercalantlayers. From these calculations, the charge distribution along the c-axis and thestage dependence of the Fermi-level density of states; are determined. It is clarifiedthat the c-axis charge distribution is extremely inhomogeneous and that theeffect of the o bands is essentially important in determining the charge distributionalong the c-axis, The measured stage dependence of the orbital contribution in thetotal magnetic susceptibility of alkali-metal compottnds is disccussed on the basisof the calculated results of the c-axis charge distribtation.

• 社団法人日本物理学会の論文
• 1983-01-15

著者

• Ohno Takahisa

  Department Of Physics University Of Tokyo

• Kamimura Hiroshi

  Department Of Applied Physics . Faculty Of Science Tokyo University Of Science

• Ohno Takahisa

  Department Of Chemical Engineering Faculty Of Engineering Science Osaka University

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