Density functional theory investigation of one-dimensional organic-metallic multiple-decked sandwich model
We investigate electric and magnetic properties of a benzene-iron complex chain [Fe(C6H6)]∞. By performing first principles calculation based on the spin-polarized density functional theory, we find that this system shows semiconducting behavior having magnetic moment. We also show that this system...
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| Main Authors: | , , , , |
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| Format: | text |
| Published: |
Animo Repository
2005
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| Subjects: | |
| Online Access: | https://animorepository.dlsu.edu.ph/faculty_research/4554 |
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| Institution: | De La Salle University |