Modulation of the electronic and magnetic properties of the silicene nanoribbons by a single C chain

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. Copyright EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2011