LAPW studies of electronic interactions in fullerene tubes doped with transition metals

被引：2
|
作者：
Dyachkov, PN
机构：
[1] Institute for General and Inorganic Chemistry, Academy of Sciences of Russia
来源：
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS | 1997年 / 200卷
关键词：
fullerene nanotubes; band structure; augmented plane-waves; transition metal compounds; intercalation;
D O I：
10.1524/zpch.1997.200.Part_1_2.165
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The electronic structure of the nanotubes M@C-20 doped with 3d-metals Sc, Ti, ..., Zn is calculated by means of the bar LAPW method. The total and partial 3d(M)-densities of states are obtained. The results are used to predict the dependence of conductivity on the nature of the metal.
引用
收藏
页码：165 / 174
页数：10
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