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

K. Benchikh
K. Benchikh
, 
H. Abid
H. Abid
 e 
M. Benchehima
M. Benchehima
   | 08 feb 2017
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Pubblicato online: 08 feb 2017
Pagine: 32 - 39
Ricevuto: 01 mag 2016
Accettato: 23 nov 2016
DOI: https://doi.org/10.1515/msp-2017-0005
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© 2017 K. Benchikh, H. Abid, M. Benchehima
This article is distributed under the terms of the Creative Commons Attribution Non-Commercial License, which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.

Electronic band structure in zinc-blende (zb) phase for: (a) Zn0.5Cd0.5S, (b) Zn0.5Cd0.5Se, (c) ZnS0.5Se0.5, (d) Mg0.5Zn0.5Se.
Electronic band structure in zinc-blende (zb) phase for: (a) Zn0.5Cd0.5S, (b) Zn0.5Cd0.5Se, (c) ZnS0.5Se0.5, (d) Mg0.5Zn0.5Se.

Variation of energy gap with concentration for ZnxCd1−xS in zb phase, obtained with VCA (dashed lines) and improved VCA (solid lines).
Variation of energy gap with concentration for ZnxCd1−xS in zb phase, obtained with VCA (dashed lines) and improved VCA (solid lines).

Variation of energy gap with concentration for ZnxCd1−xSe in zb phase, obtained with VCA (dashed lines) and improved VCA (solid lines).
Variation of energy gap with concentration for ZnxCd1−xSe in zb phase, obtained with VCA (dashed lines) and improved VCA (solid lines).

Variation of energy gap with concentration for ZnSxSe1−x in zb phase, obtained with VCA (dashed lines) and improved VCA (solid lines).
Variation of energy gap with concentration for ZnSxSe1−x in zb phase, obtained with VCA (dashed lines) and improved VCA (solid lines).

Variation of the energy gap with concentration for MgxZn1−xSe in zb phase, obtained with VCA (dashed lines) and improved VCA (solid lines).
Variation of the energy gap with concentration for MgxZn1−xSe in zb phase, obtained with VCA (dashed lines) and improved VCA (solid lines).

Variation of refractive index as a function of concentration x for ZnxCd1−xS, obtained with VCA (dashed lines) and improved VCA (solid lines).
Variation of refractive index as a function of concentration x for ZnxCd1−xS, obtained with VCA (dashed lines) and improved VCA (solid lines).

Variation of refractive index as a function of concentration x for ZnxCd1−xSe, obtained with VCA (dashed lines) and improved VCA (solid lines).
Variation of refractive index as a function of concentration x for ZnxCd1−xSe, obtained with VCA (dashed lines) and improved VCA (solid lines).

Variation of refractive index as a function of concentration x for ZnSxSe1−x, obtained with VCA (dashed lines) and improved VCA (solid lines).
Variation of refractive index as a function of concentration x for ZnSxSe1−x, obtained with VCA (dashed lines) and improved VCA (solid lines).

Variation of refractive index as a function of concentration x for MgxZn1−xSe, obtained with VCA (dashed lines) and improved VCA (solid lines).
Variation of refractive index as a function of concentration x for MgxZn1−xSe, obtained with VCA (dashed lines) and improved VCA (solid lines).

Bowing parameters for the energy gaps EΓΓ, EΓX, EΓL within improved VCA.

pEΓΓ [eV]EΓX [eV]EΓL [eV]
ZnxCd1−xS1.05

this work

0.848

this work

, 0.827

[2]

0.077

this work

0.725

this work

ZnxCd1−xSe1.205

this work

0.384

this work

, 0.387

[2]

−1.023

this work

−1.075

this work

ZnSxSe1−x0.28

this work

0.595

this work

, 0.580

[2]

, 0.46

[17]

0.548

this work

0.516

this work

MgxZn1−xSe0.34

this work

, 0.72

[14]

0.600

this work

, 0.600

[2]

, 0.4

[14]

−0.718

this work

−0.634

this work

Refractive indices for used binaries.

ZnSCdSZnSeCdSeMgSe
n (Moss)2.32

this work

, 2.32

[17]

2.12

this work

2.49

this work

, 2.51

[17]

2.26

this work

2.25

this work

n (Ravindra)1.80

this work

, 1.79

[17]

2.01

this work

2.36

this work

, 2.42

[17]

, 2.27

[12]

2.49

this work

1.48

this work

n (Hervé-Vandamme)2.16

this work

, 2.15

[17]

2.10

this work

2.42

this work

, 2.48

[17]

, 2.38

[12]

2.37

this work

2.05

this work

Calculated and experimental energy gaps for the binary compounds.

Materiala [a.u.]EΓΓ[eV]EΓX[eV]EΓL[eV]
Calc.Exp.Calc.Exp.Calc.Exp.
ZnS10.224

[2]

3.51

this work

3.70

[12]

5.23

this work

5.20

[12]

5.28

this work

5.30

[12]

CdS11.021

[2]

2.69

this work

2.50

[12]

6.00

this work

6.00

[12]

5.67

this work

5.60

[12]

ZnSe10.711

[2]

2.68

this work

2.80

[12]

4.49

this work

4.50

[12]

4.47

this work

4.50

[12]

CdSe11.484

[2]

2.01

this work

1.90

[12]

5.41

this work

5.40

[12]

4.74

this work

4.70

[12]

MgSe11.130

[2]

4.21

this work

4.21

[16]

4.13

this work

4.05

[16]

4.19

this work

4.19

[16]

Adjusted form factors (in Ry) for the studied binaries.

MaterialVS (3)VS (8)VS (11)VA (3)VA (4)VA (11)
ZnS−0.2736090.0415520.0575210.2074350.140000.04000
CdS−0.3814110.068308−0.2388280.3113200.130000.223786
ZnSe−0.2831150.0564260.0333120.1788710.123000.053152
CdSe−0.2936610.017887−0.1569280.2606150.120000.152888
MgSe−0.2414540.0260.050.150.089−0.03
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