Аннотация
Fine-tuning of magnetic states via an understanding of spin injection on the edge of graphene nanoribbons should allow for greater flexibility of the design of graphene-based spintronics. On the basis of calculations, we predict that coupling constants of the exchange interaction in the series of nitroxide-functionalized ribbon compounds are antiferromagnetic across the ribbons with values 0.2–0.4 cm −1 and ferromagnetic along the ribbon with absolute values from 0.05 to 0.07 cm −1 . Such interacting nitroxide groups induce spin polarization of the edge states of stable graphene nanoribbons.
Язык оригинала | английский |
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Номер статьи | 58 |
Число страниц | 5 |
Журнал | Journal of Molecular Modeling |
Том | 25 |
Номер выпуска | 3 |
DOI | |
Состояние | Опубликовано - 9 февр. 2019 |