Electronic structure and electron energy loss spectra of armchair and zigzag edged buckled silicene nano-ribbons

Abstract

We present first principle calculations of electronic structure and electron energy loss spectra (EELS) of unpassivated buckled silicene nano-ribbons with armchair edge (ASiNR) and zigzag edge (ZSiNR) configurations. Both configurations are found metallic in nature, however, 5μB magnetic moment per supercell has been found for ZSiNR. Density of states calculations reveal that the magnetism in ZSiNR arises mainly due to the difference in up and down spin density of states in the vicinity of Fermi level. The EELS shows collective excitations of electrons at 4.7 eV, 7.5 eV (2.3 eV, 7.8 eV) for ASiNR (ZSiNR). In addition a broad EEL peak has been observed about 3 eV for in-plane polarization of ASiNR.