Electronic structures and magnetic properties of CrSiTe3 single-layer nanoribbons

In this study, we systematically investigate the stability, electronic structures and magnetic properties of CrSiTe3 single-layer nanoribbons with different edge configurations and ribbon widths using first-principles calculations. The results show that the edge energies (less than 0.4 eV/Å) for all studied CrSiTe3 nanoribbons are much lower than that of graphene and many transition-metal dichalcogenide nanoribbons, indicating their stability and easy formation. Compared to the CrSiTe3 monolayer with ferromagnetic semiconductor characterictics, some of CrSiTe3 nanoribbons (N-SiCr-ZNRs, N-Te-ZNRs, N-TeCr-ANRs and N-Te-ANRs) become half-metal due to the hybridization between the d orbitals of edge Cr atoms and the p orbitals of edge Te atoms. While N-SiTe-ANRs are bipolar magnetic semiconductors, in which the states near Fermi level are localized around the nanoribbons edge. Our results show that CrSiTe3 single-layer nanoribbons are promising candidates suitable for applications in spintronic devices.
Source: Physics Letters A - Category: Physics Source Type: research