Fig. 3

a Spin-dependent transmission spectra for M3 at zero bias. The Fermi energy is set to 0 eV shown by vertical dotted lines. b The LDOS with respect to the AGNR in the M3 junction in the BZ of a unit cell. For a clear comparison, the band structure of the isolated AGNR is shown together by solid lines. The conduction band bottom of the isolated AGNR is set to be the projected LUMO energy level at the Γ point. c Schematic view of the state alignment of AGNR for M3. A gap is opened at E _F for up spin due to the energy gap of AGNR, while electronic states are generated at E _F for down spin as the strong hybridization. Results of up (down) spin are shown in left (right) panels