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Table 2 The calculated results including the bond length (dW-S, dW-Se, and dTM-S(Se)), the height difference (∆h), the total magnetic moment MT, the local magnetic moment ML of TM adatom, and MAE

From: Manipulation of the Magnetic Properties of Janus WSSe Monolayer by the Adsorption of Transition Metal Atoms

TM

Side

dW-S

(Å)

dW-Se

(Å)

dTM-S(Se) (Å)

h(Å)

ΜL

(μB)

MT

(μB)

MAE (meV)

Co

S

2.51

2.52

2.12

1.24

0.92

1.00

0.79

Se

2.41

2.66

2.22

1.37

0.93

1.00

2.68

Fe

S

2.51

2.53

2.16

1.21

1.83

2.00

2.66

Se

2.42

2.67

2.24

1.36

1.88

2.00

−0.95

Mn

S

2.47

2.54

2.21

1.36

2.73

3.00

3.88

Se

2.43

2.61

2.31

1.45

2.78

3.00

3.33

Cr

S

2.47

2.54

2.41

1.82

4.80

6.00

−2.72

Se

2.42

2.57

2.60

1.91

4.86

6.00

−0.57

V

S

2.50

2.53

2.31

1.70

2.90

5.00

−4.19

Se

2.42

2.62

2.42

1.84

2.98

5.00

−2.76

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