Structural, electronic and magnetic properties of (N, C)-codoped ZnO nanotube: First principles study
| Autor: | Amirhosein Esmailian, F. Kanjouri, Masoud Shahrokhi |
|---|---|
| Rok vydání: | 2015 |
| Předmět: |
Nanotube
Materials science Magnetic moment Spin polarization Condensed matter physics General Physics and Astronomy Statistical and Nonlinear Physics Nanotechnology Electronic structure Condensed Matter::Mesoscopic Systems and Quantum Hall Effect Computer Science Applications Condensed Matter::Materials Science Magnetization Computational Theory and Mathematics Impurity Antiferromagnetism Density functional theory Mathematical Physics |
| Zdroj: | International Journal of Modern Physics C. 26:1550130 |
| ISSN: | 1793-6586 0129-1831 |
| DOI: | 10.1142/s0129183115501302 |
| Popis: | We have studied the electronic structure and magnetic properties of Nitrogen and Carbon codoped ZnO (5,0) single-walled zigzag nanotube using first-principle calculations based on the density functional theory. We performed our calculations for N - and C - codoping ZnO nanotube in two different configurations. For the first configuration in which the two impurity atoms ( N or C ) are on first nearest-neighbor sites in the plane of codoping, our calculation predicts that the N - and C -codoped ZnO 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 N - and C -codoped ZnO nanotubes. |
| Databáze: | OpenAIRE |
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