| Autor: |
Esmailian, Amirhosein, Shahrokhi, Masoud, Kanjouri, Faramarz |
| Předmět: |
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| Zdroj: |
International Journal of Modern Physics C: Computational Physics & Physical Computation; Nov2015, Vol. 26 Issue 11, p-1, 10p |
| Abstrakt: |
We have studied the electronic structure and magnetic properties of Nitrogen and Carbon codoped (5,0) single-walled zigzag nanotube using first-principle calculations based on the density functional theory. We performed our calculations for - and - codoping nanotube in two different configurations. For the first configuration in which the two impurity atoms ( or ) are on first nearest-neighbor sites in the plane of codoping, our calculation predicts that the - and -codoped nanotubes are antiferromagnetic material with no net magnetization. On the other hand, it is found that for the configuration in which the two impurity atoms are next nearest-neighbors, a spin polarization results in a magnetic moment in the - and -codoped nanotubes. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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