Calculation of GaAsxSb1-x III-V Ternary Semiconductor Band Energy Gap

Abstract: GaAsxSb1-x III-V 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 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 GaAsxSb1-x III-V Ternary Semiconductor Band Energy Gap values

Keywords: Band Energy Gap, Composition, Electro Negativity, Molecular weight, density, optical polarizability.

Introduction: 1) In this opening talk of GaAsxSb1-x III-V 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 GaAsxSb1-x III-V 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 III-V Ternary compounds. 6) Doping of Al component in a Binary semiconductor like GaSb 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 GaAsxSb1-x III-V Ternary Semiconductor. 9) The fair agreement between calculated and reported values of Band Energy Gaps of AlSb and GaSb 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 GaAsxSb1-x III-V Ternary Semiconductor

Objective: The main Objective of this paper is to calculate GaAsxSb1-x III-V Ternary Semiconductor Band Energy Gap values

Purpose: The purpose of study is GaAsxSb1-x III-V Ternary Semiconductor Band Energy Gap and effect of concentration in Electro Negativity values of III-V Ternary Semiconductors to represent additivity principle even in very low concentration range. This paper includes Electro Negativity values of III-V 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 Electro Negativity values of Elemental Semiconductors:

Compound Al Ga As In P Sb N E.N value 1.5 1.8 2 1.7 2.1 1.9 3

Electro Negativity values of GaAsxSb1-x III-V Ternary Semiconductor

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 GaAsxSb1-x XM value 1.8 1.8 1.8 1.8 1.8 1.8 1.8 1.8 1.8 1.8 XN value 1.9 1.909771 1.914675 1.919592 1.924521 1.929463 1.934418 1.939386 1.944366(XM/XN)2 0.897507 0.888347 0.883802 0.87928 0.874782 0.870306 0.865853 0.861423 0.857016 0.852632 (XM-XN)2 0.01 0.01205 0.01315 0.014302 0.015506 0.016761 0.018068 0.019428 0.020841 0.022308 2(XM-XN)2 1.006956 1.008387 1.009157 1.009963 1.010806 1.011685 1.012603 1.013558 1.014551 1.015583 (2(XM-XN)2)1/4 1.001734 1.00209 1.002281 1.002481 1.002691 1.002909 1.003136 1.003372 1.003618 1.003873 28.8/(2(XM-XN)2)1/4 28.75014 28.73993 28.73445 28.72871 28.72272 28.71647 28.70997 28.7032 28.69617 28.68888

ALPHA-M 110.32 107.563 106.1845 104.806 103.4275 102.409 100.6705 99.292 97.9135 96.535 RO-VALUES 5.62 5.589 5.5735 5.558 5.5425 5.527 5.5115 5.496 5.4805 5.465 M-VALUES 191.48 189.796 184.454 182.112 179.77 177.428 175.086 172.744 170.402 168.06 ALPHA-M*RO/M 3.237928 3.167451 3.208493 3.198646 3.18878 3.190108 3.168988 3.159061 3.149112 3.139139

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 8.16E+24 7.99E+24 8.09E+24 8.07E+24 8.04E+24 8.04E+24 7.99E+24 7.97E+24 7.94E+24 7.92E+24 1-(4PIN/3)*ALPHAM*RO/M 8.16E+24 7.99E+24 8.09E+24 8.07E+24 8.04E+24 8.04E+24 7.99E+24 7.97E+24 7.94E+24 7.92E+24 1+2*(4PIN/3)*ALPHAM*RO/M 1.63E+25 1.6E+25 1.62E+25 1.61E+25 1.61E+25 1.61E+25 1.6E+25 1.59E+25 1.59E+25 1.58E+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) 14.37507 14.36996 14.36722 14.36436 14.36136 14.35824 14.35498 14.3516 14.34809 14.34444

Eg value 10.93863 10.67141 10.54116 10.41307 10.28711 10.16324 10.04141 9.921586 9.803728 9.687796

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

Compound XM value 1.8 1.8 1.8 1.8 1.8 1.8 1.8 1.8 1.8 1.8 XN value 1.954365 1.959383 1.964415 1.96946 1.974517 1.979588 1.984671 1.989768 1.994877 2 (XM/XN)2 0.848269 0.843929 0.839612 0.835316 0.831042 0.826791 0.822561 0.818352 0.814165 0.81 (XM-XN)2 0.023828 0.025403 0.027032 0.028717 0.030456 0.032252 0.034103 0.036012 0.037977 0.04 2(XM-XN)2 1.016654 1.017764 1.018914 1.020104 1.021335 1.022607 1.02392 1.025276 1.026673 1.028114 (2(XM-XN)2)1/4 1.004138 1.004412 1.004695 1.004989 1.005292 1.005604 1.005927 1.00626 1.006603 1.006956 28.8/(2(XM-XN)2)1/4 28.68133 28.6735 28.66541 28.65704 28.6484 28.63949 28.6303 28.62084 28.61109 28.60106

ALPHA-M 95.1565 93.778 92.3995 91.021 89.6425 88.264 86.8855 85.507 84.1285 82.75 RO-VALUES 5.4495 5.434 5.4185 5.403 5.3875 5.372 5.3565 5.341 5.3255 5.31 M-VALUES 165.718 163.376 161.034 158.692 156.35 154.008 151.666 149.324 146.982 144.64

ALPHA-M*RO/M 3.129143 3.119122 3.109074 3.099 3.088897 3.078763 3.068599 3.058402 3.048171 3.037904

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 7.89E+24 7.87E+24 7.84E+24 7.81E+24 7.79E+24 7.76E+24 7.74E+24 7.71E+24 7.69E+24 7.66E+24 1-(4PIN/3)*ALPHAM*RO/M 7.89E+24 7.87E+24 7.84E+24 7.81E+24 7.79E+24 7.76E+24 7.74E+24 7.71E+24 7.69E+24 7.66E+24 1+2*(4PIN/3)*ALPHAM*RO/M 1.58E+25 1.57E+25 1.57E+25 1.56E+25 1.56E+25 1.55E+25 1.55E+25 1.54E+25 1.54E+25 1.53E+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) 14.34066 14.33675 14.3327 14.32852 14.3242 14.31975 14.31515 14.31042 14.30555 14.30053

Eg value 9.573753 9.461561 9.351185 9.242588 9.135738 9.030599 8.927139 8.825325 8.725127 8.626513

Doping of Al component in a Binary semiconductor like GaSb and changing the composition of do pant has actually resulted in lowering of Band Energy Gap.

Future Plans: 1) Current data set of Electro Negativity values of GaAsxSb1-x III-V 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 GaAsxSb1-x III-V Ternary Semiconductors with in the Composition range of (0 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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