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

Higai, Shin'ichi; Mizuno, Seiji; Nakao, Kenji

Physical Review B, 1998, 57(12), 7369-7376

Permalink : https://hdl.handle.net/2115/50998

このアイテムのアクセス数:783件（2026-10-06 00:02 集計）

ファイル	フォーマット	サイズ	閲覧回数	説明
Phys. Rev. B 57, 7369	pdf	242 KB	1,243

アクセス権	open access
URI	https://hdl.handle.net/2115/50998
タイトル	Theoretical study on electronic states of potassium-oxygen-graphite ternary intercalation compounds
著者	Higai, Shin'ichi ; Mizuno, Seiji ; Nakao, Kenji
著者名 Higai, Shin'ichi
著者名 Mizuno, Seiji
著者名 Nakao, Kenji
言語	英語
キーワード	Potassium-oxygen-graphite ternary intercalation compounds
発行日	1998-03
出版者	American Physical Society
収録物名	Physical Review B
巻(号)	57(12)
ページ	7369-7376
抄録	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.
資源タイプ	学術雑誌論文
出版タイプ	Version of Record
権利情報	© 1998 The American Physical Society
PISSN	0163-1829
EISSN	1095-3795
NCID	AA11187113
関連情報	URI http://prb.aps.org/abstract/PRB/v57/i12/p7369_1
関連情報 (isIdenticalTo)	出版社版DOI https://doi.org/10.1103/PhysRevB.57.7369