Table 2 The total (MT), edge (ME), and single-atom magnetic moments in unit of μB per primitive cell in TM-n-APNRs for n = 9 and 17
n | M T | M E | M (TM) | M (P1) | M (P2) | |
---|---|---|---|---|---|---|
V-n-APNR | 9 | 6.012 | 5.790 | 3.045 | − 0.082 | 0.007 |
17 | 6.006 | 5.770 | 3.035 | − 0.082 | 0.007 | |
Cr-n-APNR | 9 | 8.082 | 8.174 | 4.673 | − 0.270 | − 0.023 |
17 | 8.061 | 8.172 | 4.672 | − 0.269 | − 0.024 | |
Mn-n-APNR | 9 | 9.996 | 9.792 | 4.748 | 0.003 | 0.071 |
17 | 9.998 | 9.794 | 4.749 | 0.003 | 0.071 |