Data.zip
DFT_4-ZGNR
1Ring_ZZ.TRANS
44.9 kB
2Ring_ZZ.TRANS
44.9 kB
3Ring_ZZ.TRANS
44.9 kB
4Ring_ZZ.TRANS
44.9 kB
5Ring_ZZ.TRANS
44.9 kB
6Ring_ZZ.TRANS
44.9 kB
Bulk_ZZ.TRANS
44.9 kB
ZZ.bands
734.2 kB
structures
ZZ.vasp
4.5 kB
ZZ_1ring.vasp
4.8 kB
ZZ_2ring.vasp
5.1 kB
ZZ_3ring.vasp
5.4 kB
ZZ_4ring.vasp
5.7 kB
ZZ_5ring.vasp
6.0 kB
ZZ_6ring.vasp
6.4 kB
DFT_7-AGNR
1Ring_AA.TRANS
44.9 kB
2Ring_AA.TRANS
44.9 kB
3Ring_AA.TRANS
44.9 kB
4Ring_AA.TRANS
44.9 kB
5Ring_AA.TRANS
44.9 kB
6Ring_AA.TRANS
44.9 kB
AA.bands
1.3 MB
Bulk_AA.TRANS
44.9 kB
structures
AA.vasp
4.1 kB
AA_1ring.vasp
4.3 kB
AA_2ring.vasp
4.5 kB
AA_3ring.vasp
4.7 kB
AA_4ring.vasp
4.9 kB
AA_5ring.vasp
5.0 kB
AA_6ring.vasp
5.2 kB
Molecule_wavefunctions_TB
AGNR
1hex_wnf_E=(2.7)_2.svg
24.7 kB
1hex_wnf_E=(2.7)_4.svg
24.7 kB
2hex_wnf_E=(2.7)_9.svg
28.0 kB
3hex_wnf_E=(2.7)_13.svg
35.5 kB
3hex_wnf_E=(2.7)_14.svg
35.4 kB
4hex_wnf_E=(2.7)_17.svg
37.6 kB
5hex_wnf_E=(2.7)_19.svg
43.7 kB
5hex_wnf_E=(2.7)_20.svg
43.7 kB
6hex_wnf_E=(2.7)_25.svg
49.4 kB
ZGNR
2hex_wnf_E=(2.7)_12.svg
35.2 kB
2hex_wnf_E=(2.7)_9.svg
35.4 kB
3hex_wnf_E=(2.7)_12.svg
37.8 kB
3hex_wnf_E=(2.7)_14.svg
38.2 kB
3hex_wnf_E=(2.7)_15.svg
37.6 kB
3hex_wnf_E=(2.7)_18.svg
38.3 kB
4hex_wnf_E=(2.7)_17.svg
46.1 kB
4hex_wnf_E=(2.7)_18.svg
45.8 kB
4hex_wnf_E=(2.7)_19.svg
45.6 kB
4hex_wnf_E=(2.7j)_22.svg
45.5 kB
5hex_wnf_E=(2.7)_19.svg
53.8 kB
5hex_wnf_E=(2.7)_22.svg
54.5 kB
5hex_wnf_E=(2.7)_24.svg
53.6 kB
5hex_wnf_E=(2.7)_26.svg
54.5 kB
5hex_wnf_E=(2.7)_27.svg
53.7 kB
5hex_wnf_E=(2.7)_30.svg
54.5 kB
6hex_wnf_E=(2.7)_26.svg
54.4 kB
6hex_wnf_E=(2.7)_28.svg
53.8 kB
6hex_wnf_E=(2.7)_29.svg
54.3 kB
6hex_wnf_E=(2.7)_31.svg
53.8 kB
6hex_wnf_E=(2.7)_33.svg
53.9 kB
6hex_wnf_E=(2.7)_35.svg
53.6 kB
TB_4-ZGNR
bandstructure
4-ZGNR_1NN_band.svg
85.7 kB
4-ZGNR_3NN_band.svg
83.1 kB
4-ZGNR_band_1NN.dat
9.1 kB
4-ZGNR_band_3NN.dat
9.1 kB
ldos
ldos_current_4-ZGNR_1NN_current.svg
171.5 kB
ldos_current_4-ZGNR_1hex_1NN_current.svg
182.1 kB
ldos_current_4-ZGNR_1hex_1NN_current_1.svg
93.8 kB
ldos_current_4-ZGNR_1hex_1NN_current_2.svg
94.0 kB
ldos_current_4-ZGNR_1hex_1NN_current_3.svg
94.0 kB
ldos_current_4-ZGNR_1hex_1NN_current_4.svg
92.6 kB
ldos_current_4-ZGNR_1hex_3NN_cond.svg
300.8 kB
ldos_current_4-ZGNR_1hex_3NN_vale.svg
299.7 kB
ldos_current_4-ZGNR_2hex_1NN_current.svg
190.6 kB
ldos_current_4-ZGNR_2hex_3NN_cond.svg
319.2 kB
ldos_current_4-ZGNR_2hex_3NN_vale.svg
483.9 kB
ldos_current_4-ZGNR_3NN_cale.svg
282.2 kB
ldos_current_4-ZGNR_3NN_cond.svg
282.1 kB
ldos_current_4-ZGNR_3hex_1NN_current.svg
149.8 kB
ldos_current_4-ZGNR_3hex_3NN_cond.svg
335.3 kB
ldos_current_4-ZGNR_3hex_3NN_vale.svg
504.8 kB
ldos_current_4-ZGNR_4hex_1NN_current.svg
157.9 kB
ldos_current_4-ZGNR_4hex_3NN_cond.svg
355.5 kB
ldos_current_4-ZGNR_4hex_3NN_vale.svg
352.8 kB
ldos_current_4-ZGNR_5hex_1NN_current.svg
168.7 kB
ldos_current_4-ZGNR_5hex_3NN_cond.svg
371.9 kB
ldos_current_4-ZGNR_5hex_3NN_vale.svg
372.0 kB
ldos_current_4-ZGNR_6hex_1NN_current.svg
176.7 kB
ldos_current_4-ZGNR_6hex_3NN_cond.svg
390.0 kB
ldos_current_4-ZGNR_6hex_3NN_vale.svg
389.1 kB
ldos_current_4-ZGNR_7hex_1NN_current.svg
187.6 kB
ldos_current_4-ZGNR_8hex_1NN_current.svg
195.5 kB
transmission
T_4-ZGNR_1NN.dat
18.6 kB
T_4-ZGNR_1hex_1NN.dat
19.4 kB
T_4-ZGNR_1hex_3NN.dat
39.3 kB
T_4-ZGNR_2hex_1NN.dat
19.4 kB
T_4-ZGNR_2hex_3NN.dat
39.3 kB
T_4-ZGNR_3NN.dat
38.2 kB
T_4-ZGNR_3hex_1NN.dat
19.4 kB
T_4-ZGNR_3hex_3NN.dat
39.3 kB
T_4-ZGNR_4hex_1NN.dat
19.4 kB
T_4-ZGNR_4hex_3NN.dat
39.3 kB
T_4-ZGNR_5hex_1NN.dat
19.4 kB
T_4-ZGNR_5hex_3NN.dat
39.3 kB
T_4-ZGNR_6hex_1NN.dat
19.4 kB
T_4-ZGNR_6hex_3NN.dat
39.3 kB
T_4-ZGNR_7hex_1NN.dat
19.4 kB
T_4-ZGNR_8hex_1NN.dat
19.4 kB
wavefunctions
wfn_4-ZGNR_1NN_0.99_mode0.svg
2.1 MB
wfn_4-ZGNR_1NN_0.99_mode1.svg
2.1 MB
wfn_4-ZGNR_1NN_0.99_mode2.svg
2.1 MB
wfn_4-ZGNR_1NN_c_mode0.svg
2.1 MB
wfn_4-ZGNR_1NN_c_mode1.svg
2.1 MB
wfn_4-ZGNR_1NN_c_mode2.svg
2.1 MB
wfn_4-ZGNR_1NN_c_mode3.svg
2.1 MB
TB_7-AGNR
bandstructure
1NN_band_7-AGNR.svg
116.1 kB
3NN_band_7-AGNR.svg
186.2 kB
7-ZGNR_band_1NN.dat
18.1 kB
7-ZGNR_band_3NN.dat
18.3 kB
ldos
ldos_current_7-AGNR_1NN_c.svg
189.9 kB
ldos_current_7-AGNR_1hex_1NN_c.svg
196.0 kB
ldos_current_7-AGNR_1hex_1NN_current_1.svg
197.3 kB
ldos_current_7-AGNR_1hex_1NN_current_2.svg
197.3 kB
ldos_current_7-AGNR_1hex_1NN_current_3.svg
197.3 kB
ldos_current_7-AGNR_1hex_3NN_c.svg
369.6 kB
ldos_current_7-AGNR_1hex_3NN_v.svg
371.0 kB
ldos_current_7-AGNR_2hex_1NN_c.svg
203.4 kB
ldos_current_7-AGNR_2hex_3NN_c.svg
384.5 kB
ldos_current_7-AGNR_2hex_3NN_v.svg
382.8 kB
ldos_current_7-AGNR_3NN_c.svg
354.2 kB
ldos_current_7-AGNR_3NN_v.svg
353.0 kB
ldos_current_7-AGNR_3hex_1NN_c.svg
209.3 kB
ldos_current_7-AGNR_3hex_3NN_c.svg
397.5 kB
ldos_current_7-AGNR_3hex_3NN_v.svg
397.3 kB
ldos_current_7-AGNR_4hex_1NN_c.svg
216.0 kB
ldos_current_7-AGNR_4hex_3NN_c.svg
410.5 kB
ldos_current_7-AGNR_4hex_3NN_v.svg
407.8 kB
ldos_current_7-AGNR_5hex_1NN_c.svg
222.8 kB
ldos_current_7-AGNR_5hex_3NN_c.svg
421.8 kB
ldos_current_7-AGNR_5hex_3NN_v.svg
421.3 kB
ldos_current_7-AGNR_6hex_1NN_c.svg
229.5 kB
ldos_current_7-AGNR_6hex_3NN_c.svg
435.7 kB
ldos_current_7-AGNR_6hex_3NN_v.svg
434.1 kB
ldos_current_7-AGNR_7hex_1NN_c.svg
236.1 kB
ldos_current_7-AGNR_7hex_3NN_c.svg
449.9 kB
ldos_current_7-AGNR_7hex_3NN_v.svg
446.9 kB
ldos_current_7-AGNR_8hex_1NN_c.svg
242.6 kB
ldos_current_7-AGNR_8hex_3NN_c.svg
463.7 kB
ldos_current_7-AGNR_8hex_3NN_v.svg
462.1 kB
transmission
T_7-AGNR_1NN.dat
18.2 kB
T_7-AGNR_1hex_1NN.dat
18.2 kB
T_7-AGNR_1hex_3NN.dat
37.0 kB
T_7-AGNR_2hex_1NN.dat
18.2 kB
T_7-AGNR_2hex_3NN.dat
36.9 kB
T_7-AGNR_3NN.dat
37.0 kB
T_7-AGNR_3hex_1NN.dat
18.2 kB
T_7-AGNR_3hex_3NN.dat
36.9 kB
T_7-AGNR_4hex_1NN.dat
18.2 kB
T_7-AGNR_4hex_3NN.dat
37.0 kB
T_7-AGNR_5hex_1NN.dat
18.2 kB
T_7-AGNR_5hex_3NN.dat
37.0 kB
T_7-AGNR_6hex_1NN.dat
18.2 kB
T_7-AGNR_6hex_3NN.dat
36.9 kB
T_7-AGNR_7hex_1NN.dat
18.2 kB
T_7-AGNR_7hex_3NN.dat
37.0 kB
T_7-AGNR_8hex_1NN.dat
18.2 kB
T_7-AGNR_8hex_3NN.dat
37.0 kB
wavefunctions
wfn_7-AGNR_1NN_c_mode0.svg
10.1 MB
wfn_7-AGNR_1NN_c_mode1.svg
10.1 MB
wfn_7-AGNR_1NN_c_mode2.svg
10.1 MB
wfn_7-AGNR_3NN_c_mode0.svg
2.2 MB
wfn_7-AGNR_3NN_c_mode1.svg
2.2 MB
wfn_7-AGNR_3NN_c_mode2.svg
2.2 MB
wfn_7-AGNR_3NN_c_mode3.svg
2.2 MB
wfn_7-AGNR_3NN_v_mode0.svg
2.2 MB
wfn_7-AGNR_3NN_v_mode1.svg
2.2 MB
wfn_7-AGNR_3NN_v_mode2.svg
2.2 MB