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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

From: Electronic Properties of Armchair Black Phosphorene Nanoribbons Edge-Modified by Transition Elements V, Cr, and Mn

  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