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Charge Transfer Mechanism and Electronic States of Acceptor-Type Graphite Intercalation Compounds

 

作者: Shin'ichi Higai,   Seiji Mizuno,   Shugo Suzuki,   Kenji Nakao,  

 

期刊: Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals  （Taylor Available online 2000）
卷期: Volume 340, issue 1  

页码: 149-154

 

ISSN:1058-725X

 

年代: 2000

 

DOI:10.1080/10587250008025458

 

出版商: Taylor & Francis Group

 

关键词: graphite intercalation compound;acceptor-type;arsenic-fluoride;charge transfer mechanism;electronic state;first-principles calculation

 

数据来源: Taylor

 

摘要:

A new model for the charge transfer mechanism and electronic states of the acceptor-type graphite intercalation compounds is proposed. The essential points of this model are the following two. One is the transformation of the molecular intercalate into another molecular form with the open shell electronic state. The other is the existence of the Fermi surface originated in the intercalate due to the incomplete charge transfer to its singly occupied molecular orbital.

 

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