A first-principles study on zigzag phosphorene nanoribbons terminated by transition metal atoms

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We have investigated the electronic and magnetic properties of zigzag phosphorene nanoribbons(ZPNRs)with transi-tion metal(TM)passivated atoms,it can be found that the ZPNRs with TM passivated atoms exhibit different magnetisms except for the Ni-passivated system.Meanwhile,the results show that the magnetic moments of ZPNRs with TM pas-sivated atoms are larger than that of ZPNRs with other passivated non-metals/groups.Interestingly,it can be found that Fe-passivated ZPNR exhibits magnetic semiconducting character,which provides the possbility for the application of phos-phorene in information storage.For Mn-passivated ZPNRs,it exhibits the half-metallicity.These results may be useful for potential applications of phosphorene in electronic and high-performance spintronic devices.
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