Abstract.
Under the generalized gradient approximation (GGA), the electronic and magnetic properties are studied for H-terminated zigzag edge Si nanoribbon (ZSiNR) decorated with a single C chain by using the first-principles projector augmented wave (PAW) potential within the density function theory (DFT) framework. The results show that either a perfect ZSiNR or a single C chain decorated ZSiNR, the ferromagnetic state is preferred over the antiferromagnetic state. But a single C chain decorated ZSiNR is more stable than the perfect one. Furthermore, the electronic and magnetic properties of a ZSiNR can be modulated in detail by a single C chain at different positions.
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Song, YL., Zhang, Y., Zhang, JM. et al. Modulation of the electronic and magnetic properties of the silicene nanoribbons by a single C chain. Eur. Phys. J. B 79, 197–202 (2011). https://doi.org/10.1140/epjb/e2010-10627-5
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DOI: https://doi.org/10.1140/epjb/e2010-10627-5