Theoretical study on electronic states of potassium-oxygen-graphite ternary intercalation compounds


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Phys. Rev. B 57, 7369.pdf

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Please use this identifier to cite or link to this item:http://hdl.handle.net/2115/50998

Title:	Theoretical study on electronic states of potassium-oxygen-graphite ternary intercalation compounds
Authors:	Higai, Shin'ichi Browse this author
	Mizuno, Seiji Browse this author
	Nakao, Kenji Browse this author
Keywords:	Potassium-oxygen-graphite ternary intercalation compounds
Issue Date:	Mar-1998
Publisher:	American Physical Society
Journal Title:	Physical Review B
Volume:	57
Issue:	12
Start Page:	7369
End Page:	7376
Publisher DOI:	10.1103/PhysRevB.57.7369
Abstract:	The electronic states of stage-1 and -2 potassium-oxygen-graphite ternary intercalation compounds are studied from first principles by constructing several simple structural models. For all models, the graphite π* band and the oxygen 2p band form the electron and hole Fermi surfaces, respectively. Oxygen 2p bands with small dispersion contribute to the large density of states near the Fermi level. The whole 4s charge of potassium is transferred to oxygen and carbon, and the present compounds are classified into the donor type. Furthermore, no magnetic moment appears on oxygen irrespective of its arrangement, for which the reason is discussed.
Rights:	© 1998 The American Physical Society
Relation:	http://prb.aps.org/abstract/PRB/v57/i12/p7369_1
Type:	article
URI:	http://hdl.handle.net/2115/50998
Appears in Collections:	工学院・工学研究院 (Graduate School of Engineering / Faculty of Engineering) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 水野誠司

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