Boron and nitrogen doped single walled carbon nanotubes as possible dilute magnetic semiconductors

被引：14
|
作者：
Owens, Frank J. [1 ,2 ]
机构：
[1] Armament Res Dev & Engn Ctr, Picatinny Arsenal, NJ 07806 USA
[2] CUNY Hunter Coll, Dept Phys, New York, NY 10021 USA
来源：
NANOSCALE RESEARCH LETTERS | 2007年 / 2卷 / 09期
关键词：
carbon nanotubes; dilute magnetic semiconductors; boron; nitrogen;
D O I：
10.1007/s11671-007-9082-4
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
The structure of single walled armchair and zig-zag carbon nanotubes having 70 atoms and two carbons replaced by boron or nitrogen is obtained at minium energy using HF/6-31G* molecular orbital theory. The calculations show that the ground state of the zig-zag tubes is a triplet state while for the armchair tubes it is a singlet. In the zig-zag tubes the density of states at the Fermi level is greater for the spin down states compared to the spin up state indicating that the doped tubes could be ferromagnetic.
引用
收藏
页码：447 / 449
页数：3
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