Investigation of HgxZn1-xSe II-VI Ternary Semiconductor Band Energy Gap

Abstract: HgxZn1-xSe II-VI Ternary semiconductor is very important as an x of a constituent in the semiconductor is going to have significant changes in calculating Physical Property like Band Energy Gap. These Ternary Compounds can be derived from binary compounds HgTe and ZnTe by replacing one half of the atoms in one sub lattice by lower valence atoms, the other half by higher valence atoms and maintaining average number of valence electrons per atom. The subscript X refers to the alloy content or concentration of the material, which describes proportion of the material added and replaced by alloy material. This paper represents the HgxZn1-xSe II-VI Ternary Semiconductor Band Energy Gap values

Keywords: Band Energy Gap, Composition, Electro Negativity, Molecular weight, density, optical Polarizability, II-VI Ternary Semiconductors.

Introduction: 1) In this opening talk of HgxZn1-xSe II-VI Ternary Semiconductor Band Energy Gap Electronegativity values of Ternary Semiconductors are denoted by symbols XM and XN and Band Energy Gap is denoted by Eg

2) Linus Pauling first proposed Electro Negativity in 1932 as a development of valence bond theory,[2] it has been shown to correlate with a number of other chemical properties.

3) The continuous variation of physical properties like Electro Negativity of ternary compounds with relative concentration of constituents is of utmost utility in development of solid-state technology.

4) In the present work, the solid solutions belonging to HgxZn1-xSe II-VI Ternary Semiconductor Band Energy Gap have been investigated. In order to have better understanding of performance of these solid solutions for any particular application, it becomes quite necessary to work on the physical properties like Electro Negativity of these materials.

5) Recently no other class of material of semiconductors has attracted so much scientific and commercial attention like the II-VI Ternary compounds.

6) Doping of Hg component in a Binary semiconductor like ZnSe and changing the composition of do pant has actually resulted in lowering of Band Energy Gap.

7) Thus effect of do pant increases the conductivity and decreases the Band Energy Gap and finds extensive applications

8) The present investigation relates Band Energy Gap and Electro Negativity with variation of composition for HgxZn1-xSe II-VI Ternary Semiconductor.

9) The fair agreement between calculated and reported values of Band Energy Gaps of HgSe and ZnSe Binary semiconductors give further extension of Band Energy Gaps for Ternary semiconductors.

10) The present work opens new line of approach to Band Energy Gap studies in HgxZn1-xSe II-VI Ternary Semiconductor

Objective: The main Objective of this paper is to calculate HgxZn1-xSe II-VI Ternary Semiconductor Band Energy Gap values

Purpose: The purpose of study is HgxZn1-xSe II-VI Ternary Semiconductor Band Energy Gap and effect of concentration in Electro Negativity values of II-VI Ternary Semiconductors to represent additivity principle even in very low concentration range. This paper includes Electro Negativity values of II-VI ternary semiconductors and Band Energy Gap values in composition range (0 Theoretical Impact: Formula: Eg=[28.8/(2(XM-XN)2)1/4*(1-f12/1+2*f12)]POWER (XM/XN)2 Where:f12=[4pN/3]*[aM12*r12]/M12

X value 0 0.1 0.15 0.2 0.25 0.3 0.35 0.4 0.45 0.5 1-x value 1 0.9 0.85 0.8 0.75 0.7 0.65 0.6 0.55 0.5

Compound HgxZn1-xSe XM value 1.65 1.682049 1.698306 1.71472 1.731293 1.74803 1.76492 1.781978 1.799201 1.81659 XN value 2.55 2.55 2.55 2.55 2.55 2.55 2.55 2.55 2.55 2.55

(XM/XN)2 0.418685 0.435108 0.443559 0.452174 0.460957 0.46991 0.479038 0.488342 0.497828 0.507497 (XM-XN)2 0.81 0.75334 0.725383 0.697693 0.670282 0.64316 0.61635 0.589858 0.563699 0.53789

2(XM-XN)2 1.753211 1.68569 1.65334 1.621909 1.591384 1.56175 1.532992 1.505098 1.478054 1.451847 (2(XM-XN)2)1/4 1.150691 1.139448 1.133941 1.128513 1.123165 1.1179 1.112718 1.107621 1.102612 1.097691 28.8/(2(XM-XN)2)1/4 25.02845 25.2754 25.39814 25.5203 25.64181 25.7626 25.88258 26.00167 26.1198 26.23688

M-VALUES 144.34 157.861 164.6215 171.382 178.1425 184.903 191.6635 198.424 205.1845 211.945 RO-VALUES 5.42 5.703 5.8445 5.986 6.1275 6.269 6.4105 6.552 6.6935 6.835

ALPHA-M*RO/M 2.458038 2.446104 2.443772 2.443481 2.444998 2.44813 2.452692 2.458552 2.465576 2.473654 TOTAL 4*PI*N 7.56E+24 7.56E+24 7.56E+24 7.56E+24 7.56E+24 7.56E+24 7.56E+24 7.56E+24 7.56E+24 7.56E+24 4*PI*N/3 VALUES 2.52E+24 2.52E+24 2.52E+24 2.52E+24 2.52E+24 2.52E+24 2.52E+24 2.52E+24 2.52E+24 2.52E+24

(4PIN/3)*ALPHAM*RO/M 6.2E+24 6.17E+24 6.16E+24 6.16E+24 6.17E+24 6.2E+24 6.18E+24 6.2E+24 6.22E+24 6.24E+24 1-(4PIN/3)*ALPHAM*RO/M 6.2E+24 6.17E+24 6.16E+24 6.16E+24 6.17E+24 6.2E+24 6.18E+24 6.2E+24 6.22E+24 6.24E+24

1+2*(4PIN/3)*ALPHAM*RO/M 1.24E+25 1.23E+25 1.23E+25 1.23E+25 1.23E+25 1.2E+25 1.24E+25 1.24E+25 1.24E+25 1.25E+25 1-phi12/1+phi12 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 28.8/(2(XM-XN)2)1/4*(1-phi12/1+2*phi12) 12.51422 12.6377 12.69907 12.76015 12.82091 12.8813 12.94129 13.00084 13.0599 13.11844

Eg value 2.880492 3.015395 3.087365 3.162567 3.241179 3.32339 3.40941 3.499446 3.593732 3.692513

X value 0.55 0.6 0.65 0.7 0.75 0.8 0.85 0.9 0.95 1 1-x value 0.45 0.4 0.35 0.3 0.25 0.2 0.15 0.1 0.05 0

XM value 1.834148 1.851875 1.869773 1.887844 1.90609 1.924513 1.943113 1.961893 1.980855 2 XN value 2.55 2.55 2.55 2.55 2.55 2.55 2.55 2.55 2.55 2.55

(XM/XN)2 0.517354 0.527403 0.537647 0.54809 0.558736 0.569588 0.580652 0.59193 0.603427 0.615148 (XM-XN)2 0.512445 0.487379 0.462709 0.43845 0.41462 0.391234 0.368312 0.345869 0.323926 0.3025

2(XM-XN)2 1.426465 1.401896 1.378127 1.355148 1.332947 1.311515 1.290841 1.270917 1.251732 1.23328 (2(XM-XN)2)1/4 1.092862 1.088125 1.083484 1.078938 1.074492 1.070147 1.065904 1.061767 1.057737 1.053817 28.8/(2(XM-XN)2)1/4 26.35283 26.46754 26.58093 26.6929 26.80336 26.9122 27.01931 27.12459 27.22793 27.32921

M-VALUES 218.7055 225.466 232.2265 238.987 245.7475 252.508 259.2685 266.029 272.7895 279.55 RO-VALUES 6.9765 7.118 7.2595 7.401 7.5425 7.684 7.8255 7.967 8.108 8.25 ALPHA-M 77.8295 78.954 80.0785 81.203 82.3275 83.452 84.5765 85.701 86.8255 87.95

ALPHA-M*RO/M 2.482688 2.492591 2.503288 2.514712 2.526802 2.539504 2.552772 2.566562 2.580675 2.595555 TOTAL 4*PI*N 7.56E+24 7.56E+24 7.56E+24 7.56E+24 7.56E+24 7.56E+24 7.56E+24 7.56E+24 7.56E+24 7.56E+24 4*PI*N/3 VALUES 2.52E+24 2.52E+24 2.52E+24 2.52E+24 2.52E+24 2.52E+24 2.52E+24 2.52E+24 2.52E+24 2.52E+24

(4PIN/3)*ALPHAM*RO/M 6.26E+24 6.29E+24 6.31E+24 6.34E+24 6.37E+24 6.4E+24 6.44E+24 6.47E+24 6.51E+24 6.55E+24 1-(4PIN/3)*ALPHAM*RO/M 6.26E+24 6.29E+24 6.31E+24 6.34E+24 6.37E+24 6.4E+24 6.44E+24 6.47E+24 6.51E+24 6.55E+24

1+2*(4PIN/3)*ALPHAM*RO/M 1.25E+25 1.26E+25 1.26E+25 1.27E+25 1.27E+25 1.28E+25 1.29E+25 1.29E+25 1.3E+25 1.31E+25 1-phi12/1+phi12 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 28.8/(2(XM-XN)2)1/4*(1-phi12/1+2*phi12) 13.17641 13.23377 13.29047 13.34645 13.40168 13.4561 13.50966 13.5623 13.61397 13.66461

Eg value 3.796051 3.904627 4.01854 4.138109 4.263678 4.395612 4.534305 4.680175 4.833674 4.995285

Doping of Hg component in a Binary semiconductor like ZnSe and changing the composition of do pant has actually resulted in Variation of Band Energy Gap .

Future Plans: 1) Current data set of Electro Negativity values of HgxZn1-xSe II-VI Ternary Semiconductors and Band Energy Gap values include the most recently developed methods and basis sets are continuing. The data is also being mined to reveal problems with existing theories and used to indicate where additional research needs to be done in future.

2) The technological importance of the ternary semiconductor alloy systems investigated makes an understanding of the phenomena of alloy broadening necessary, as it may be important in affecting semiconductor device performance.

Conclusion: 1) This paper needs to be addressed theoretically so that a fundamental understanding of the physics involved in such phenomenon can be obtained in spite of the importance of ternary alloys for device applications.

2) Limited theoretical work on Electro Negativity values and Band Energy Gap of HgxZn1-xSe II-VI Ternary Semiconductors with in the Composition range of (0 3) Our results regarding the Electro Negativity values and Band Energy Gap of II-VI Ternary Semiconductors are found to be in reasonable agreement with the experimental data

Results and Discussion: Electro Negativity values of Ternary Semiconductors are used in calculation of Band Energy Gaps and Refractive indices of Ternary Semiconductors and Band Energy Gap is used for Electrical conduction of semiconductors. This phenomenon is used in Band Gap Engineering.

Acknowledgments. – This review has benefited from V.R Murthy, K.C Sathyalatha contribution who carried out the calculation of physical properties for several ternary compounds with additivity principle. It is a pleasure to acknowledge several fruitful discussions with V.R Murthy.

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