(Color online) Schematic view of an AGNR-based device. All edge carbon atoms are saturated with hydrogen atoms. The labels C and E represent substitutional doping of nitrogen at the center and the edge, respectively.
(Color online) Calculated current as a function of the applied bias for N-doped W-AGNR device (W = 7, 8, 9). The inset of (a) is the changes of rectification ratio with the applied bias in and .
(Color online) Band structure for the left electrode (left panels), transmission curve (middle panels), and band structure for the right electrode (right panels) for: (a)-(c) the at Vb = 0, V and (d)-(f) the at Vb = 0, V. The insets of (b) and (c) give the MPSH at an eigenvalue of E = 0.51 eV at Vb = 1.0 V and at an eigenvalue of E = −0.48 eV at Vb = −1.0 V for . The insets of (e) and (f) give the MPSH at an eigenvalue of E = 0.09 eV at Vb = 0.6 V and at an eigenvalue of E = −0.31 eV at Vb = −0.6 V for . The green lines represent the chemical potentials of the left and right electrodes.
(Color online) (a) MPSH at an eigenvalue of E = −0.48 eV for (left panel) and of E = −0.47 eV for (right panel) at Vb = −0.8 V. (b)-(d) The transmission spectra of the (corresponding to low transmission peak) and the (corresponding to high transmission peak) at Vb = −0.8,−1.0, and −1.2 V, respectively. The vertical lines indicate the bias window.
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