Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10728072 | Physics Letters A | 2010 | 6 Pages |
Abstract
The effects of boron doping on the structural and electronic properties of (6,0)@(14,0) double-walled silicon carbide nanotube (DWSiCNT) are investigated by using spin-polarized density functional theory. It is found that boron atom could be more easily doped in the inner tube. Our calculations indicate that a Si site is favorable for B under C-rich condition and a C site is favorable under Si-rich condition. Additionally, B-substitution at either single carbon or silicon atom site in DWSiCNT could induce spontaneous magnetization.
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Authors
Somayeh Behzad, Rostam Moradian, Raad Chegel,