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

Abstract: HgxZn1-xTe 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-xTe 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-xTe 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-xTe 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 ZnTe 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-xTe II-VI Ternary Semiconductor.

9) The fair agreement between calculated and reported values of Band Energy Gaps of HgTe and ZnTe 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-xTe II-VI Ternary Semiconductor

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

Purpose: The purpose of study is HgxZn1-xTe 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-xTe XM value 1.65 1.682049 1.698306 1.71472 1.731293 1.74803 1.76492 1.781978 1.799201 1.81659 XN value 2.1 2.1 2.1 2.1 2.1 2.1 2.1 2.1 2.1 2.1

(XM/XN)2 0.617347 0.641562 0.654023 0.666727 0.679677 0.69288 0.706336 0.720056 0.734042 0.748299 (XM-XN)2 0.2025 0.174683 0.161358 0.148441 0.135945 0.12389 0.112279 0.101138 0.09048 0.080321

2(XM-XN)2 1.150691 1.128717 1.11834 1.108371 1.098812 1.08967 1.080934 1.072619 1.064724 1.057253 (2(XM-XN)2)1/4 1.035714 1.030733 1.028356 1.026057 1.023837 1.0217 1.019647 1.01768 1.015803 1.014016

28.8/(2(XM-XN)2)1/4 27.80692 27.94128 28.00587 28.06863 28.12947 28.1883 28.24507 28.29965 28.35197 28.40192

M-VALUES 192.99 207 213 220 227 234 240 247 254 261 RO-VALUES 6.34 6.52 6.61 6.71 6.8 6.89 6.98 7.07 7.16 7.26 ALPHA-M 95.97 99.1 101 102 104 105

ALPHA-M*RO/M 3.152753 3.121411 3.134319 3.111 3.115419 3.09167 3.111917 3.11996 3.100787 3.115402 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 7.95E+24 7.87E+24 7.9E+24 7.84E+24 7.86E+24 7.8E+24 7.85E+24 7.87E+24 7.82E+24 7.86E+24 1-(4PIN/3)*ALPHAM*RO/M 7.95E+24 7.87E+24 7.9E+24 7.84E+24 7.86E+24 7.8E+24 7.85E+24 7.87E+24 7.82E+24 7.86E+24

1+2*(4PIN/3)*ALPHAM*RO/M 1.59E+25 1.57E+25 1.58E+25 1.57E+25 1.57E+25 1.6E+25 1.57E+25 1.57E+25 1.56E+25 1.57E+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) 13.90346 13.97064 14.00293 14.03431 14.06474 14.0942 14.12254 14.14983 14.17598 14.20096

Eg value 5.078125 5.42909 5.618932 5.819193 6.030568 6.2538 6.489707 6.739148 7.003064 7.282468

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 2.1 2.1 2.1 2.1 2.1 2.1 2.1 2.1 2.1 2.1

(XM/XN)2 0.762834 0.777651 0.792755 0.808153 0.82385 0.839852 0.856165 0.872795 0.889748 0.907029 (XM-XN)2 0.070678 0.061566 0.053004 0.04501 0.037601 0.030796 0.024613 0.019073 0.014196 0.01

2(XM-XN)2 1.05021 1.043598 1.037423 1.03169 1.026406 1.021575 1.017207 1.013308 1.009888 1.006956 (2(XM-XN)2)1/4 1.012323 1.010726 1.009227 1.00783 1.006537 1.005351 1.004274 1.003311 1.002463 1.001734

28.8/(2(XM-XN)2)1/4 28.44942 28.49438 28.53668 28.57624 28.61296 28.64672 28.67742 28.70497 28.72924 28.75014 M-VALUES 267 274 281 288 294 301 308 315 321 328.19 RO-VALUES 7.35 7.44 7.53 7.62 7.71 7.8 7.9 7.99 8.08 8.17 ALPHA-M 113 115 116 118 119 121 123 124 126 127.32

ALPHA-M*RO/M 3.110674 3.122628 3.10847 3.122083 3.120714 3.135548 3.15487 3.14527 3.171589 3.169519 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 7.84E+24 7.87E+24 7.84E+24 7.87E+24 7.87E+24 7.91E+24 7.96E+24 7.93E+24 8E+24 7.99E+24 1-(4PIN/3)*ALPHAM*RO/M 7.84E+24 7.87E+24 7.84E+24 7.87E+24 7.87E+24 7.91E+24 7.96E+24 7.93E+24 8E+24 7.99E+24

1+2*(4PIN/3)*ALPHAM*RO/M 1.57E+25 1.57E+25 1.57E+25 1.57E+25 1.57E+25 1.58E+25 1.59E+25 1.59E+25 1.6E+25 1.6E+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) 14.22471 14.24719 14.26834 14.28812 14.30648 14.32336 14.33871 14.35248 14.36462 14.37507

Eg value 7.578454 7.892204 8.224997 8.578217 8.953362 9.352056 9.776058 10.22728 10.70779 11.21983

Doping of Hg component in a Binary semiconductor like CdTe 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-xTe 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-xTe 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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