Electronic Structure and Room Temperature of 2D Dilute Magnetic Semiconductors in Bilayer MoS₂-Doped Mn

Table 1

The calculated values of formation energy under Mo-rich and S-rich growth conditions.

Supercell	Doping site	Mo rich	S rich
	1 Mn	1.908	−0.7523
>>	N	3.4019	−1.9173
>>	NN	3.7658	−1.5534
>>	NNN	3.4027	−1.9184
>>	Updn(do)	3.9779	−1.3432
>>	Updn(d1)	3.9806	−1.3406
	1 Mn	1.8677	−0.7919
>>	N	3.3067	−2.0144
>>	NN	3.6618	−1.6580
>>	NN N	3.70856	−1.6126
>>	Updn(do)	3.7319	−1.5873
>>	Updn(d1)	3.7381	−1.5811