Density functional study of spin polarization on a carbon material with a hexagonal structure induced by iron atoms
We investigate the spin polarization of a non magnetic material, e.g., a carbon material made from ten C atoms forming a hexagonal structure with total spin S = 0, induced by a ferromagnetic material, e.g., two Fe atoms with a total spin S = 4. Based on the density functional theory, we calculate th...
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Scientific Publishers
2014
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| Online Access: | http://psasir.upm.edu.my/id/eprint/36980/1/Density%20functional%20study%20of%20spin%20polarization%20on%20a%20carbon%20material%20with%20a%20hexagonal%20structure%20induced%20by%20iron%20atoms.pdf http://psasir.upm.edu.my/id/eprint/36980/ http://www.ingentaconnect.com/content/asp/jctn/2014/00000011/00000001/art00009?token=003f1b703b719b6f98c39412f415d766b2524702e7b457a3863382530332948 |
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| Summary: | We investigate the spin polarization of a non magnetic material, e.g., a carbon material made from ten C atoms forming a hexagonal structure with total spin S = 0, induced by a ferromagnetic material, e.g., two Fe atoms with a total spin S = 4. Based on the density functional theory, we calculate the total spin density of the system. Our preliminary results show that the total spin for the ten C atoms changes from S = 0 to S = 4, while the total spin of the two Fe atoms changes from S = 4 to S =0. These results seem to indicate that there is a promising possibility to induce spin polarization on a carbon material by Fe atoms. |
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