First Principles Investigation of Ferromagnetism for Zn1-xMnxY(Y = S, Se, Te)

Table 2: Direct (Г – Г) and Indirect (Г– X) Band Gaps of BeSe and ZnSe and Their Alloy at Equilibrium Volume

Zn_1-xMn_xSe

Γ – Γ(Γ –X)

x	Present	Exp	Others

0	1.2( 3.5)	2.82^a (4.3^c)	2.76^b 2.5^d
(4.54^b>)
0.25	1.38
0.5	0.27(0.24)
0.75	0.29(0.283)
1	3.65(3.2)	2.9^e

Zn_1-xMn_xS

0	2.16(4.55)	2.71^e	2.11(GGA)^f
0.25	1.186(0.52)
0.5	0.3
0.75	0.285(0.288)
1	4.5(3.8)	3.4^e

Zn_1-xMn_xS

0	1.041 (2.2)	2.38^g	2.19(2.25)^g
0.25	1.33	2.42^h	2.37ⁱ
0.5	0.14	2.55^j	2.49^k
0.75	0.28	2.74^l	-
1	2.14	3.2^l	2.7^m

^a Ref [³³]

^b Ref [³⁴]

^c Ref [³⁵]

^d Ref [³⁶]

^e Ref [¹⁷]

^f Ref [³⁷]

^g Ref [³⁸]

^h Ref [³⁹]

ⁱ Ref [⁴⁰]

^j Ref [⁴¹]

^k Ref [⁴²]

^l Ref [⁴³]

^m Ref [⁴⁴]

ⁿ Ref [⁴⁵]