Correlation between charge transfer and exchange coupling in carbon-based magnetic materials
Several forms of carbon-based magnetic materials, i.e. single radicals, radical dimers, and alternating stacks of radicals and diamagnetic molecules, have been investigated using density-functional theory with dispersion correction and full geometry optimization. Our calculated results demonstrate t...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2015-10-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4933076 |