Electronic and optical properties of ternary alloys ZnxCd1−xS, ZnxCd1−xSe, ZnSxSe1−x, MgxZn1−xSe

Figures & Tables

	p	E_ΓΓ [eV]	E_ΓX [eV]	E_ΓL [eV]

Zn_xCd_1−xS	1.05 this work	0.848 this work , 0.827 [2]	0.077 this work	0.725 this work
Zn_xCd_1−xSe	1.205 this work	0.384 this work , 0.387 [2]	−1.023 this work	−1.075 this work
ZnS_xSe_1−x	0.28 this work	0.595 this work , 0.580 [2] , 0.46 [17]	0.548 this work	0.516 this work
Mg_xZn_1−xSe	0.34 this work , 0.72 [14]	0.600 this work , 0.600 [2] , 0.4 [14]	−0.718 this work	−0.634 this work

Material	a [a.u.]	E_ΓΓ	[eV]	E_ΓX	[eV]	E_ΓL	[eV]
		Calc.	Exp.	Calc.	Exp.	Calc.	Exp.
ZnS	10.224 [2]	3.51 this work	3.70 [12]	5.23 this work	5.20 [12]	5.28 this work	5.30 [12]
CdS	11.021 [2]	2.69 this work	2.50 [12]	6.00 this work	6.00 [12]	5.67 this work	5.60 [12]
ZnSe	10.711 [2]	2.68 this work	2.80 [12]	4.49 this work	4.50 [12]	4.47 this work	4.50 [12]
CdSe	11.484 [2]	2.01 this work	1.90 [12]	5.41 this work	5.40 [12]	4.74 this work	4.70 [12]
MgSe	11.130 [2]	4.21 this work	4.21 [16]	4.13 this work	4.05 [16]	4.19 this work	4.19 [16]

Material	V_S (3)	V_S (8)	V_S (11)	V_A (3)	V_A (4)	V_A (11)
ZnS	−0.273609	0.041552	0.057521	0.207435	0.14000	0.04000
CdS	−0.381411	0.068308	−0.238828	0.311320	0.13000	0.223786
ZnSe	−0.283115	0.056426	0.033312	0.178871	0.12300	0.053152
CdSe	−0.293661	0.017887	−0.156928	0.260615	0.12000	0.152888
MgSe	−0.241454	0.026	0.05	0.15	0.089	−0.03