Research Article
Electronic Structure and Room Temperature of 2D Dilute Magnetic Semiconductors in Bilayer MoS2-Doped Mn
Table 2
The calculated magnetic energy
and magnetic moment
for ML MoS
2-doped Mn.
| | Supercell | Distance (d) | Impurity () | (eV) | |
| | 3 × 3 × 1 | Single | 11.11 | — | 1.00 | | >> | N | 22.22 | −0.18444 | 2.32 | | >> | NN | 22.22 | −0.212240 | 2.000 | | >> | NNN | 22.22 | −0.132042 | 2.74 | | 4 × 4 × 1 | Single | 6.250 | − | 1.00 | | >> | N | 12.50 | −0.21007 | 2.07 | | >> | NN | 12.50 | −0.177582 | 2.00 | | >> | NNN | 12.50 | −0.0849 | 2.00 | | 5 × 5 × 1 | N | 8.00 | −0.1636 | 2.46 |
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