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Table 1 Electronic charges of each atomic species in the TM-doped black and blue phosphorenes, obtained using Bader charge analysis. The positive (negative) sign represents the gained (lost) electrons

From: Dilute Magnetic Semiconductor and Half-Metal Behaviors in 3d Transition-Metal Doped Black and Blue Phosphorenes: A First-Principles Study

 

Atoms

Sc

Ti

V

Cr

Mn

Fe

Co

Ni

Black-P

TM

−1.54

−1.23

−0.97

−0.87

−0.61

−0.37

−0.19

−0.16

 

Nearest-P

+0.97

+0.78

+0.59

+0.59

+0.33

+0.12

+0.09

+0.07

Blue-P

TM

−1.55

−1.27

−1.05

−0.88

−0.57

−0.40

−0.21

−0.20

 

Nearest-P

+0.98

+0.79

+0.63

+0.60

+0.31

+0.13

+0.10

+0.09

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