Data.zip
DFT
Input-Files
C.psf
143.1 kB
H.psf
122.8 kB
README.txt
726 Bytes
Structural-Optimization.fdf
620 Bytes
Transport-Electrode.fdf
560 Bytes
Transport-Finite-Bias-Conductance.fdf
1.9 kB
Transport-Zero-Bias-Conductance.fdf
2.0 kB
Optimized-Structures
1_Pristine-AGNRs
06-AGNR.fdf
1.2 kB
07-AGNR.fdf
1.3 kB
08-AGNR.fdf
1.5 kB
09-AGNR.fdf
1.6 kB
10-AGNR.fdf
1.7 kB
11-AGNR.fdf
1.9 kB
12-AGNR.fdf
2.0 kB
13-AGNR.fdf
2.1 kB
14-AGNR.fdf
2.2 kB
15-AGNR.fdf
2.4 kB
16-AGNR.fdf
2.5 kB
17-AGNR.fdf
2.6 kB
18-AGNR.fdf
2.7 kB
19-AGNR.fdf
2.9 kB
20-AGNR.fdf
3.0 kB
21-AGNR.fdf
3.1 kB
22-AGNR.fdf
3.3 kB
23-AGNR.fdf
3.4 kB
24-AGNR.fdf
3.5 kB
25-AGNR.fdf
3.6 kB
26-AGNR.fdf
3.8 kB
2_Single-Defect
06-AGNR.fdf
7.1 kB
07-AGNR.fdf
8.0 kB
08-AGNR.fdf
8.9 kB
09-AGNR.fdf
9.8 kB
10-AGNR.fdf
10.7 kB
11-AGNR.fdf
11.6 kB
12-AGNR.fdf
12.5 kB
13-AGNR.fdf
13.4 kB
14-AGNR.fdf
14.3 kB
15-AGNR.fdf
15.2 kB
16-AGNR.fdf
16.1 kB
17-AGNR.fdf
17.0 kB
18-AGNR.fdf
17.9 kB
19-AGNR.fdf
18.7 kB
20-AGNR.fdf
19.6 kB
21-AGNR.fdf
20.5 kB
22-AGNR.fdf
21.4 kB
23-AGNR.fdf
22.3 kB
24-AGNR.fdf
23.2 kB
25-AGNR.fdf
24.1 kB
26-AGNR.fdf
25.0 kB
3_Double-Defect
Opposite-Edges
Alpha-9-AGNR.fdf
19.4 kB
Beta-9-AGNR.fdf
19.4 kB
Delta-9-AGNR.fdf
19.4 kB
Epsilon-9-AGNR.fdf
19.4 kB
Gamma-9-AGNR.fdf
19.4 kB
Same-Edge
Alpha-9-AGNR.fdf
19.3 kB
Beta-9-AGNR.fdf
19.4 kB
Delta-9-AGNR.fdf
19.4 kB
Epsilon-9-AGNR.fdf
19.4 kB
Gamma-9-AGNR.fdf
19.4 kB
README.txt
489 Bytes
Results-Trans+DOS
10-Lead.DOS
44.9 kB
10-Lead.TRANS
44.9 kB
10-Scattering.DOS
44.9 kB
10-Scattering.TRANS
44.9 kB
11-Lead.DOS
44.9 kB
11-Lead.TRANS
44.9 kB
11-Scattering.DOS
44.9 kB
11-Scattering.TRANS
44.9 kB
12-Lead.DOS
44.9 kB
12-Lead.TRANS
44.9 kB
12-Scattering.DOS
44.9 kB
12-Scattering.TRANS
44.9 kB
13-Lead.DOS
44.9 kB
13-Lead.TRANS
44.9 kB
13-Scattering.DOS
44.9 kB
13-Scattering.TRANS
44.9 kB
14-Lead.DOS
44.9 kB
14-Lead.TRANS
44.9 kB
14-Scattering.DOS
44.9 kB
14-Scattering.TRANS
44.9 kB
15-Lead.DOS
44.9 kB
15-Lead.TRANS
44.9 kB
15-Scattering.DOS
44.9 kB
15-Scattering.TRANS
44.9 kB
16-Lead.DOS
44.9 kB
16-Lead.TRANS
44.9 kB
16-Scattering.DOS
44.9 kB
16-Scattering.TRANS
44.9 kB
17-Lead.DOS
44.9 kB
17-Lead.TRANS
44.9 kB
17-Scattering.DOS
44.9 kB
17-Scattering.TRANS
44.9 kB
18-Lead.DOS
44.9 kB
18-Lead.TRANS
44.9 kB
18-Scattering.DOS
44.9 kB
18-Scattering.TRANS
44.9 kB
19-Lead.DOS
44.9 kB
19-Lead.TRANS
44.9 kB
19-Scattering.DOS
44.9 kB
19-Scattering.TRANS
44.9 kB
20-Lead.DOS
44.9 kB
20-Lead.TRANS
44.9 kB
20-Scattering.DOS
44.9 kB
20-Scattering.TRANS
44.9 kB
21-Lead.DOS
44.9 kB
21-Lead.TRANS
44.9 kB
21-Scattering.DOS
44.9 kB
21-Scattering.TRANS
44.9 kB
22-Lead.DOS
44.9 kB
22-Lead.TRANS
44.9 kB
22-Scattering.DOS
44.9 kB
22-Scattering.TRANS
44.9 kB
23-Lead.DOS
44.9 kB
23-Lead.TRANS
44.9 kB
23-Scattering.DOS
44.9 kB
23-Scattering.TRANS
44.9 kB
24-Lead.DOS
44.9 kB
24-Lead.TRANS
44.9 kB
24-Scattering.DOS
44.9 kB
24-Scattering.TRANS
44.9 kB
25-Lead.DOS
44.9 kB
25-Lead.TRANS
44.9 kB
25-Scattering.DOS
44.9 kB
25-Scattering.TRANS
44.9 kB
26-Lead.DOS
44.9 kB
26-Lead.TRANS
44.9 kB
26-Scattering.DOS
44.9 kB
26-Scattering.TRANS
44.9 kB
6-Lead.DOS
44.9 kB
6-Lead.TRANS
44.9 kB
6-Scattering.DOS
44.9 kB
6-Scattering.TRANS
44.9 kB
7-Lead.DOS
44.9 kB
7-Lead.TRANS
44.9 kB
7-Scattering.DOS
44.9 kB
7-Scattering.TRANS
44.9 kB
8-Lead.DOS
44.9 kB
8-Lead.TRANS
44.9 kB
8-Scattering.DOS
44.9 kB
8-Scattering.TRANS
44.9 kB
9-Lead.DOS
44.9 kB
9-Lead.TRANS
44.9 kB
9-Scattering.DOS
44.9 kB
9-Scattering.TRANS
44.9 kB
Anti-A.TRANS
44.9 kB
Anti-B.TRANS
44.9 kB
Anti-C.TRANS
44.9 kB
Anti-D.TRANS
44.9 kB
Anti-E.TRANS
44.9 kB
Syn-A.TRANS
44.9 kB
Syn-B.TRANS
44.9 kB
Syn-C.TRANS
44.9 kB
Syn-D.TRANS
44.9 kB
Syn-E.TRANS
44.9 kB
Experiments
README.txt
95 Bytes
a-STM_overview.txt
2.3 MB
b-ncAFM.txt
751.6 kB
c-STM_inset.txt
1.0 MB
d-STM_inset.txt
2.3 MB
Tight-binding
Coaxial_bite_defect
13-AGNR_7-AGNR_system.pdf
10.0 kB
13-AGNR_five_coaxial_bite_system.pdf
9.8 kB
13-AGNR_four_coaxial_bite_system.pdf
9.9 kB
13-AGNR_one_coaxial_bite_system.pdf
10.3 kB
13-AGNR_three_coaxial_bite_system.pdf
10.0 kB
13-AGNR_two_coaxial_bite_system.pdf
10.2 kB
DOS_13-AGNR_2_coaxial_bite.dat
36.8 kB
DOS_13-AGNR_3_coaxial_bite.dat
36.8 kB
DOS_13-AGNR_4_coaxial_bite.dat
36.8 kB
DOS_13-AGNR_5_coaxial_bite.dat
36.7 kB
DOS_13-AGNR_7-AGNR.dat
37.1 kB
DOS_13-AGNR_coaxial_bite.dat
36.8 kB
T_13-7-AGNR_Fermi.dat
36.7 kB
T_13-AGNR_2_coaxial_bite_Fermi.dat
37.2 kB
T_13-AGNR_3_coaxial_bite_Fermi.dat
37.2 kB
T_13-AGNR_4_coaxial_bite_Fermi.dat
37.2 kB
T_13-AGNR_5_coaxial_bite_Fermi.dat
37.2 kB
T_13-AGNR_Fermi.dat
36.5 kB
T_13-AGNR_coaxial_bite_Fermi.dat
37.1 kB
TB_model_comparison
Gunlycke_10-AGNR_bite.dat
36.0 kB
Gunlycke_10-AGNR_pristine.dat
35.8 kB
Gunlycke_11-AGNR_bite.dat
38.5 kB
Gunlycke_11-AGNR_pristine.dat
36.1 kB
Gunlycke_9-AGNR_bite.dat
37.0 kB
Gunlycke_9-AGNR_pristine.dat
35.2 kB
Hanock_10-AGNR_bite.dat
36.2 kB
Hanock_10-AGNR_pristine.dat
36.0 kB
Hanock_11-AGNR_bite.dat
38.4 kB
Hanock_11-AGNR_pristine.dat
36.1 kB
Hanock_9-AGNR_bite.dat
36.5 kB
Hanock_9-AGNR_pristine.dat
35.3 kB
Kundo_10-AGNR_bite.dat
36.3 kB
Kundo_10-AGNR_pristine.dat
35.3 kB
Kundo_11-AGNR_bite.dat
39.2 kB
Kundo_11-AGNR_pristine.dat
36.5 kB
Kundo_9-AGNR_bite.dat
36.6 kB
Kundo_9-AGNR_pristine.dat
35.8 kB
NN_10-AGNR_bite.dat
36.5 kB
NN_10-AGNR_pristine.dat
35.2 kB
NN_11-AGNR_bite.dat
38.9 kB
NN_11-AGNR_pristine.dat
36.4 kB
NN_9-AGNR_bite.dat
36.2 kB
NN_9-AGNR_pristine.dat
34.6 kB
Trans_DOS_LDOS
DOS_10-AGNR_3_hopping.dat
36.3 kB
DOS_10-AGNR_bite_3_hopping.dat
36.0 kB
DOS_11-AGNR_3_hopping.dat
38.6 kB
DOS_11-AGNR_bite_3_hopping.dat
38.2 kB
DOS_7-AGNR_3_hopping.dat
33.1 kB
DOS_7-AGNR_bite_3_hopping.dat
33.0 kB
DOS_8-AGNR_3_hopping.dat
38.6 kB
DOS_8-AGNR_bite_3_hopping.dat
38.2 kB
DOS_9-AGNR_3_hopping.dat
36.6 kB
DOS_9-AGNR_bite_3_hopping.dat
36.2 kB
T_10-AGNR_3_hopping.dat
36.0 kB
T_10-AGNR_bite_3_hopping.dat
36.2 kB
T_11-AGNR_3_hopping.dat
36.1 kB
T_11-AGNR_bite_3_hopping.dat
38.4 kB
T_7-AGNR_3_hopping.dat
32.8 kB
T_7-AGNR_bite_3_hopping.dat
33.1 kB
T_8-AGNR_3_hopping.dat
36.7 kB
T_8-AGNR_bite_3_hopping.dat
38.3 kB
T_9-AGNR_3_hopping.dat
35.3 kB
T_9-AGNR_bite_3_hopping.dat
36.5 kB
ldos_0.174_9-AGNR.eps
90.1 kB
ldos_0.174_9-AGNR_bite.eps
86.2 kB
ldos_0.688_11-AGNR.eps
110.8 kB
ldos_0.688_11-AGNR_bite.eps
105.8 kB
ldos_0.688_14-AGNR.eps
140.0 kB
ldos_0.688_14-AGNR_bite.eps
135.3 kB
ldos_0.887_12-AGNR.eps
120.8 kB
ldos_0.887_12-AGNR_bite.eps
115.9 kB
ldos_0.963_13-AGNR.eps
130.7 kB
ldos_0.963_13-AGNR_bite.eps
126.1 kB
ldos_1.091_10-AGNR.eps
101.4 kB
ldos_1.091_10-AGNR_bite.eps
95.8 kB