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Ab initio density functional theory calculations are carried out to predict the electronic properties and relative stability of gallium sulfide nanoribbons(Ga_2S_2-NRs) with either zigzag- or armchair-terminated edges. It is found that the electronic properties of the nanoribbons are very sensitive to the edge structure. The zigzag nanoribbons(Ga_2S_2-ZNRs)are ferromagnetic(FM) metallic with spin-polarized edge states regardless of the H-passivation, whereas the bare armchair ones(Ga_2S_2-ANRs) are semiconducting with an indirect band gap. This band gap exhibits an oscillation behavior as the width increases and finally converges to a constant value. Similar behavior is also found in H-saturated Ga_2S_2-ANRs,although the band gap converges to a larger value. The relative stabilities of the bare ANRs and ZNRs are investigated by calculating their binding energies. It is found that for a similar width the ANRs are more stable than the ZNRs, and both are more stable than some Ga_2S_2 nanoclusters with stable configurations.
Ab initio density functional theory calculations are carried out to predict the electronic properties and relative stability of gallium sulfide nanoribbons (Ga_2S_2-NRs) with either zigzag- or armchair-terminated edges. It is found that the electronic properties of the nanoribbons are very sensitive to the edge structure. The zigzag nanoribbons (Ga 2S_2-ZNRs) are ferromagnetic (FM) metallic with spin-polarized edge states regardless of the H-passivation, whereas the bare armchair ones (Ga_2S_2-ANRs) are semiconducting with an indirect band gap. band gap exhibits an oscillation behavior as the width increase and finally converges to a constant value. The relative behavior is also found in H-saturated Ga_2S_2-ANRs, although the band gap converges to a larger value. The relative stabilities of the bare ANRs and ZNRs are investigated by calculating their binding energies. It is found that for a similar width the ANRs are more stable than the ZNRs, and both are more stable than some Ga_2S_2 nano clusters with stable configurations.