TIGHT-BINDING MODEL FOR THE ELECTRONIC-PROPERTIES OF SIMPLE HEXAGONAL GRAPHITE

被引：103
|
作者：
CHARLIER, JC
MICHENAUD, JP
GONZE, X
VIGNERON, JP
机构：
[1] FAC UNIV NOTRE DAME PAIX,INST STUDIES INTERFACE SCI,B-5000 NAMUR,BELGIUM
[2] CORNELL UNIV,ITHACA,NY 14853
来源：
PHYSICAL REVIEW B | 1991年 / 44卷 / 24期
关键词：
D O I：
10.1103/PhysRevB.44.13237
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The band structure of graphite with the hypothetical simple hexagonal structure has been investigated near the Fermi energy, using a tight-binding approximation. Some general features of the structure of the pi-bands in the neighborhood of the zone edge are obtained and are expressed in terms of appropriate parameters. The Fermi surface is analyzed. The density of states and the resulting behavior near the Fermi level are compared to the results obtained for the Bernal structure (Slonczewski-Weiss-McClure model) and for the rhombohedral structure (Haering-McClure model). Possible application to disordered graphite (turbostratic) is also discussed.
引用
收藏
页码：13237 / 13249
页数：13
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