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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

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