Investigation of GaAsxN1-x III-V Ternary Semiconductor Band Energy Gap

Abstract: GaAsxN1-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 GaAsxN1-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 GaAsxN1-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 GaAsxN1-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 As component in a Binary semiconductor like GaN 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 GaAsxN1-x III-V Ternary Semiconductor. 9) The fair agreement between calculated and reported values of Band Energy Gaps of GaAs and GaN 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 GaAsxN1-x III-V Ternary Semiconductor

Objective: The main Objective of this paper is to calculate GaAsxN1-x III-V Ternary Semiconductor Band Energy Gap values

Purpose: The purpose of study is GaAsxN1-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 GaAsxN1-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 GaAsxN1-x XM value 1.9 1.9 1.9 1.9 1.9 1.9 1.9 1.9 1.9 1.9 XN value 3 2.880794 2.822978 2.76632 2.710806 2.656402 2.603091 2.550849 2.499655669 2.44949 (XM/XN)2 0.4011111 0.434994 0.452994 0.47174 0.4912588 0.511587 0.532756 0.554802 0.577759141 0.601667 (XM-XN)2 1.21 0.961956 0.851889 0.75052 0.6574064 0.572145 0.494337 0.423604 0.359586921 0.301939 2(XM-XN)2 2.3133764 1.947949 1.804863 1.6824 1.5772446 1.486732 1.408673 1.341274 1.283058474 1.2328 (2(XM-XN)2)1/4 1.2332797 1.181393 1.159074 1.13889 1.1206623 1.104227 1.089438 1.076166 1.064293996 1.053715 28.8/(2(XM-XN)2)1/4 23.352367 24.378 24.84743 25.2878 25.699089 26.0816 26.43565 26.76166 27.06019211 27.33187

ALPHA-M 37.49 42.016 44.279 46.542 48.805 51.068 53.331 55.594 57.857 60.12 RO-VALUES 6.1 6.021 5.9815 5.942 5.9025 5.863 5.8235 5.784 5.7445 5.705 M-VALUES 83.73 89.821 92.8665 95.912 98.9575 102.003 105.0485 108.094 111.1395 114.185 ALPHA-M*RO/M 2.7312672 2.816472 2.851995 2.8834 2.911063 2.935322 2.956473 2.974778 2.990471763 3.003762

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 6.887E+24 7.1E+24 7.19E+24 7.3E+24 7.341E+24 7.4E+24 7.46E+24 7.5E+24 7.54086E+24 7.57E+24

1-(4PIN/3)*ALPHAM*RO/M 6.887E+24 7.1E+24 7.19E+24 7.3E+24 7.341E+24 7.4E+24 7.46E+24 7.5E+24 7.54086E+24 7.57E+24 1+2*(4PIN/3)*ALPHAM*RO/M 1.377E+25 1.42E+25 1.44E+25 1.5E+25 1.468E+25 1.48E+25 1.49E+25 1.5E+25 1.50817E+25 1.51E+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) 11.676184 12.189 12.42371 12.6439 12.849544 13.0408 13.21782 13.38083 13.53009605 13.66593

Eg value 2.6798239 2.96749 3.131042 3.30978 3.5055069 3.720276 3.956444 4.216718 4.504218239 4.822545

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 1.9 1.9 1.9 1.9 1.9 1.9 1.9 1.9 1.9 1.9 XN value 2.400331 2.352158 2.304952 2.258694 2.213364 2.168944 2.125415 2.082759 2.04096 2

(XM/XN)2 0.626563 0.652491 0.67949 0.707608 0.736888 0.76738 0.799134 0.832202 0.866639 0.9025 (XM-XN)2 0.250331 0.204447 0.163986 0.128661 0.098197 0.072331 0.050812 0.033401 0.01987 0.01 2(XM-XN)2 1.18948 1.152245 1.120379 1.093279 1.070435 1.051414 1.035848 1.023422 1.013868 1.006956 (2(XM-XN)2)1/4 1.044334 1.036063 1.028824 1.022546 1.017162 1.012613 1.008844 1.005805 1.003449 1.001734 28.8/(2(XM-XN)2)1/4 27.57739 27.79754 27.99312 28.165 28.31408 28.44128 28.54753 28.63379 28.70101 28.75014

ALPHA-M 62.383 64.646 66.909 69.172 71.435 73.698 75.961 78.224 80.487 82.75 RO-VALUES 5.6655 5.626 5.5865 5.547 5.5075 5.468 5.4285 5.389 5.3495 5.31 M-VALUES 117.2305 120.276 123.3215 126.367 129.4125 132.458 135.5035 138.549 141.5945 144.64 ALPHA-M*RO/M 3.014837 3.023865 3.030997 3.036371 3.04011 3.042328 3.043126 3.0426 3.040833 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 7.6E+24 7.63E+24 7.64E+24 7.66E+24 7.67E+24 7.67E+24 7.67E+24 7.67E+24 7.67E+24 7.66E+24

1-(4PIN/3)*ALPHAM*RO/M 7.6E+24 7.63E+24 7.64E+24 7.66E+24 7.67E+24 7.67E+24 7.67E+24 7.67E+24 7.67E+24 7.66E+24 1+2*(4PIN/3)*ALPHAM*RO/M 1.52E+25 1.53E+25 1.53E+25 1.53E+25 1.53E+25 1.53E+25 1.53E+25 1.53E+25 1.53E+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) 13.7887 13.89877 13.99656 14.0825 14.15704 14.22064 14.27376 14.31689 14.3505 14.37507

Eg value 5.175873 5.569051 6.007731 6.49852 7.04917 7.668802 8.368189 9.160099 10.05972 11.08519

Doping of As component in a Binary semiconductor like GaN 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 GaAsxN1-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 GaAsxN1-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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