TY - JOUR
T1 - Metal-terminated graphene nanoribbons
AU - Wang, Yan
AU - Cao, Chao
AU - Cheng, Hai Ping
PY - 2010/11/18
Y1 - 2010/11/18
N2 - We have investigated structure, electronic, and magnetic properties of metal-terminated zigzag graphene nanoribbons (M-ZGNRs) by first-principles calculations. Two families of metal terminations are studied: (1) 3d -transition metals (TMs) Fe, Co, and Ni and (2) noble metals (NMs) Cu, Ag, and Au. All systems have spin-polarized edge states with antiferromagnetic (AFM) ordering between two edges, except Co-ZGNRs and Ni-ZGNRs which exhibit negligibly small energy differences between AFM and ferromagnetic states with the given ribbon width. In the AFM state the TM terminations transform semiconducting ZGNRs into metallic ones while the band gap remains in ZGNR with NM terminations. Ferromagnetic states of M-ZGNRs with TM terminations show a high degree of spin polarization at the Fermi energy. We predict a large magnetoresistance in Fe-ZGNR junctions with a low, uniform magnetic switching field.
AB - We have investigated structure, electronic, and magnetic properties of metal-terminated zigzag graphene nanoribbons (M-ZGNRs) by first-principles calculations. Two families of metal terminations are studied: (1) 3d -transition metals (TMs) Fe, Co, and Ni and (2) noble metals (NMs) Cu, Ag, and Au. All systems have spin-polarized edge states with antiferromagnetic (AFM) ordering between two edges, except Co-ZGNRs and Ni-ZGNRs which exhibit negligibly small energy differences between AFM and ferromagnetic states with the given ribbon width. In the AFM state the TM terminations transform semiconducting ZGNRs into metallic ones while the band gap remains in ZGNR with NM terminations. Ferromagnetic states of M-ZGNRs with TM terminations show a high degree of spin polarization at the Fermi energy. We predict a large magnetoresistance in Fe-ZGNR junctions with a low, uniform magnetic switching field.
UR - http://www.scopus.com/inward/record.url?scp=78649752503&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.82.205429
DO - 10.1103/PhysRevB.82.205429
M3 - Article
AN - SCOPUS:78649752503
SN - 1098-0121
VL - 82
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 20
M1 - 205429
ER -