LOCALIZATION PROPERTIES OF THE NONBONDING PI-STATES AT THE FERMI LEVEL IN AMORPHOUS-CARBON

被引：20

作者：

VARGA, I

PIPEK, J

机构：

[1] Quantum Theory Group, Institute of Physics, Technical University of Budapest

来源：

PHYSICAL REVIEW B | 1990年 / 42卷 / 08期

关键词：

D O I：

10.1103/PhysRevB.42.5335

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The -electronic structure of graphitelike clusters of amorphous carbon (a-C) containing nonbonding states (=EF) is studied in the tight-binding approximation. The localization characteristics of the eigenstates, especially around the Fermi level, are analyzed. These orbitals were found to be more localized than in aromatic molecules. The nonbonding states are concentrated on surface atoms of the clusters, which implies that the additional hydrogen atoms removing the midgap states link probably to the circumference of the graphitelike regions of a-C. © 1990 The American Physical Society.

引用

页码：5335 / 5338

页数：4

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