Structure and Magnetic Interaction in Organic Radical Crystals. 6. Spin-Transfer Crystals: A Theoretical Study
| Autor: | Gottfried Olbrich, D. Alaminova, Fritz Dietz, A. Stoyanova, M. Staneva, Nikolay Tyutyulkov |
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| Rok vydání: | 2002 |
| Předmět: |
Chemistry
Exchange interaction Spin-exchange interaction Molecular physics Surfaces Coatings and Films Ferromagnetism Computational chemistry Materials Chemistry Antiferromagnetism Molecule Diamagnetism Condensed Matter::Strongly Correlated Electrons Physical and Theoretical Chemistry Electronic band structure Topology (chemistry) |
| Zdroj: | The Journal of Physical Chemistry B. 106:2901-2909 |
| ISSN: | 1520-5207 1520-6106 |
| DOI: | 10.1021/jp013622v |
| Popis: | The nature of the spin exchange interaction in half-filled bands of one-dimensional (1-D) stacks of mixed molecular radical crystals (MMRC) with the general formula ...R * ....H....R * ....H.... (R * is a π radical, and H is a diamagnetic polycyclic molecule) has been investigated theoretically. The intermolecular interaction is accompanied by spin transfer from R * to H and determines the spin-spin interaction within the 1-D stacks of the MMRCs. The nature and the magnitude of the magnetic interaction in these structures are investigated using the band theory. At a given topology and geometry of the MMRC stacks the antiferromagnetic interaction in the parent molecular radical crystals...R * ....R * .... becomes ferromagnetic in the MMRCs and vice versa. It was found that the effective exchange integral J e f f of MMRCs, belonging to a given group with one and the same radical but different H, is proportional to the diamagnetic susceptibility Χ(H). A new topological effect of the exchange interaction in MMRCs is formulated. |
| Databáze: | OpenAIRE |
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