Study of InAsxN1-x III-V Ternary Semiconductor Band Energy Gap

Abstract: InAsxN1-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 InAs and InN 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 InAsxN1-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 InAsxN1-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 III-V 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 InAsxN1-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 InN 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 InAsxN1-x III-V Ternary Semiconductor. 9) The fair agreement between calculated and reported values of Band Energy Gaps of InAs and InN 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 InAsxN1-x III-V Ternary Semiconductor

Objective: The main Objective of this paper is to calculate InAsxN1-x III-V Ternary Semiconductor Band Energy Gap values

Purpose: The purpose of study is InAsxN1-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 InAsxN1-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 InAsxN1-x XM value 1.7 1.7 1.7 1.7 1.7 1.7 1.7 1.7 1.7 1.7 XN value 3 2.880794 2.822978 2.766324 2.710806 2.656402 2.603091 2.550849 2.499656 2.44949 (XM/XN)2 0.321111 0.348236 0.362646 0.377652 0.393279 0.409553 0.4265 0.444149 0.462527 0.481667 (XM-XN)2 1.69 1.394273 1.261081 1.137046 1.021729 0.914706 0.815573 0.723944 0.639449 0.561735 2(XM-XN)2 3.226567 2.628561 2.396752 2.199303 2.03035 1.885184 1.759997 1.651691 1.557734 1.476043 (2(XM-XN)2)1/4 1.340248 1.273296 1.244245 1.217787 1.193693 1.171759 1.151802 1.133658 1.117181 1.102236 28.8/(2(XM-XN)2)1/4 21.48856 22.61846 23.14657 23.64946 24.1268 24.57842 25.00429 25.40448 25.77918 26.1287

ALPHA-M 54.88 59.882 62.883 64.884 67.385 69.886 72.387 74.888 77.389 79.89 RO-VALUES 6.88 6.758 6.697 6.636 6.575 6.514 6.453 6.392 6.331 6.27 M-VALUES 128.83 134.921 137.9665 141.012 144.0575 147.103 150.1485 153.194 156.2395 159.285 ALPHA-M*RO/M 2.930796 2.999404 3.052389 3.05343 3.075552 3.094685 3.111009 3.124692 3.135889 3.144742

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 7.39E+24 7.56E+24 7.7E+24 7.7E+24 7.76E+24 7.8E+24 7.84E+24 7.88E+24 7.91E+24 7.93E+24 1-(4PIN/3)*ALPHAM*RO/M 7.39E+24 7.56E+24 7.7E+24 7.7E+24 7.76E+24 7.8E+24 7.84E+24 7.88E+24 7.91E+24 7.93E+24 1+2*(4PIN/3)*ALPHAM*RO/M 1.48E+25 1.51E+25 1.54E+25 1.54E+25 1.55E+25 1.56E+25 1.57E+25 1.58E+25 1.58E+25 1.59E+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) 10.74428 11.30923 11.57329 11.82473 12.0634 12.28921 12.50214 12.70224 12.88959 13.06435

Eg value 2.143495 2.327251 2.43029 2.541802 2.662683 2.793945 2.93673 3.092338 3.262241 3.448119

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 1.7 1.7 1.7 1.7 1.7 1.7 1.7 1.7 1.7 1.7 XN value 2.400331 2.352158 2.304952 2.258694 2.213364 2.168944 2.125415 2.082759 2.04096 2

(XM/XN)2 0.501598 0.522354 0.543969 0.566478 0.589919 0.614329 0.63975 0.666223 0.693791 0.7225 (XM-XN)2 0.490463 0.42531 0.365967 0.312139 0.263542 0.219908 0.180978 0.146505 0.116254 0.09 2(XM-XN)2 1.404896 1.342861 1.288745 1.241547 1.200423 1.164659 1.133652 1.106885 1.083917 1.06437 (2(XM-XN)2)1/4 1.088707 1.076484 1.065471 1.055579 1.046727 1.038843 1.031858 1.025712 1.02035 1.015718 28.8/(2(XM-XN)2)1/4 26.4534 26.75375 27.03029 27.2836 27.51433 27.72316 27.91082 28.07805 28.22562 28.35432

ALPHA-M 82.391 84.892 87.393 89.894 92.395 94.896 97.397 99.898 102.399 104.90 RO-VALUES 6.209 6.148 6.087 6.026 5.965 5.904 5.843 5.782 5.721 5.66 M-VALUES 162.3305 165.376 168.4215 171.467 174.5125 177.558 180.6035 183.649 186.6945 189.74 ALPHA-M*RO/M 3.151384 3.155936 3.158511 3.159216 3.158147 3.155397 3.15105 3.145186 3.137879 3.129198

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 7.96E+24 7.96E+24 7.97E+24 7.96E+24 7.96E+24 7.95E+24 7.93E+24 7.91E+24 7.89E+24 1-(4PIN/3)*ALPHAM*RO/M 7.95E+24 7.96E+24 7.96E+24 7.97E+24 7.96E+24 7.96E+24 7.95E+24 7.93E+24 7.91E+24 7.89E+24 1+2*(4PIN/3)*ALPHAM*RO/M 1.59E+25 1.59E+25 1.59E+25 1.59E+25 1.59E+25 1.59E+25 1.59E+25 1.59E+25 1.58E+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) 13.2267 13.37688 13.51515 13.6418 13.75717 13.86158 13.95541 14.03902 14.11281 14.17716

Eg value 3.65189 3.87575 4.12222 4.394201 4.695043 5.028625 5.399448 5.812757 6.274681 6.7924

Doping of As component in a Binary semiconductor like InN 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 InAsxN1-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 InAsxN1-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.

References: 1) IUPAC Gold Book internet edition: "Electronegativity". 2) Pauling, L. (1932). "The Nature of the Chemical Bond. IV. The Energy of Single Bonds and the Relative Electronegativity of Atoms". Journal of the American Chemical Society 54 (9): 3570–3582.. 3) Pauling, Linus (1960). Nature of the Chemical Bond. Cornell University Press. pp. 88–107. ISBN 0801403332 . 4) Greenwood, N. N.; Earnshaw, A. (1984). Chemistry of the Elements. Pergamon. p. 30. ISBN 0-08-022057-6. 5) Allred, A. L. (1961). "Electronegativity values from thermochemical data". Journal of Inorganic and Nuclear Chemistry 17 (3–4): 215–221.. 6) Mulliken, R. S. (1934). "A New Electroaffinity Scale; Together with Data on Valence States and on Valence Ionization Potentials and Electron Affinities". Journal of Chemical Physics 2: 782–793.. 7) Mulliken, R. S. (1935). "Electronic Structures of Molecules XI. Electroaffinity, Molecular Orbitals and Dipole Moments". J. Chem. Phys. 3: 573–585.. 8) Pearson, R. G. (1985). "Absolute electronegativity and absolute hardness of Lewis acids and bases". J. Am. Chem. Soc. 107: 6801.. 9) Huheey, J. E. (1978). Inorganic Chemistry (2nd Edn.). New York: Harper & Row. p. 167. 10) Allred, A. L.; Rochow, E. G. (1958). "A scale of electronegativity based on electrostatic force". Journal of Inorganic and Nuclear Chemistry 5: 264.. 11) Prasada rao., K., Hussain, O.Md., Reddy, K.T.R., Reddy, P.S., Uthana, S., Naidu, B.S. and Reddy, P.J., Optical Materials, 5, 63-68 (1996). 12) Ghosh, D.K., Samantha, L.K. and Bhar, G.C., Pramana, 23(4), 485 (1984). 13) CRC Handbook of Physics and Chemistry, 76th edition. 14) Sanderson, R. T. (1983). "Electronegativity and bond energy". Journal of the American Chemical Society 105: 2259 15) Murthy, Y.S., Naidu, B.S. and Reddy, P.J., “Material Science &Engineering,”B38, 175 (1991)

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