Investigation of AlAsxP1-x III-V Ternary Semiconductor Band Energy Gap

Abstract: AlAsxP1-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 AlAs and AlSb 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 AlAsxP1-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 AlAsxP1-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 AlAsxP1-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 AlP 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 AlAsxP1-x III-V Ternary Semiconductor.

9) The fair agreement between calculated and reported values of Band Energy Gaps of AlAs and AlP 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 AlAsxP1-x III-V Ternary Semiconductor

Objective: The main Objective of this paper is to calculate AlAsxP1-x III-V Ternary Semiconductor Band Energy Gap values

Purpose: The purpose of study is AlAsxP1-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 AlAsxP1-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

AlAsxP1-x XM value 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 XN value 2.1 2.089779 2.084687 2.079608 2.074541 2.069486 2.064444 2.059414 2.054396 2.04939 (XM/XN)2 0.510204 0.515207 0.517727 0.520259 0.522804 0.525361 0.52793 0.530512 0.533107 0.535714

(XM-XN)2 0.36 0.347839 0.341859 0.335945 0.330097 0.324314 0.318597 0.312944 0.307355 0.30183 2(XM-XN)2 1.283426 1.272653 1.267389 1.262204 1.257098 1.252069 1.247117 1.24224 1.237437 1.232707 (2(XM-XN)2)1/4 1.06437 1.06213 1.06103 1.059943 1.058869 1.057809 1.056761 1.055726 1.054704 1.053695 28.8/(2(XM-XN)2)1/4 27.05826 27.11533 27.14345 27.17128 27.19883 27.2261 27.25309 27.2798 27.30623 27.33239

ALPHA-M 65.75 67.4228 68.2592 69.0956 69.932 70.7684 71.6048 72.4412 73.2776 74.114 RO-VALUES 2.42 2.559 2.6285 2.698 2.7675 2.837 2.9065 2.976 3.0455 3.115 M-VALUES 57.95 62.346 64.544 66.748 68.94 71.138 73.336 75.534 77.732 79.93 ALPHA-M*RO/M 2.745729 2.767378 2.779798 2.792892 2.807322 2.82226 2.837888 2.854145 2.870979 2.888341

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 6.92E+24 6.98E+24 7.01E+24 7.04E+24 7.08E+24 7.12E+24 7.16E+24 7.2E+24 7.24E+24 7.28E+24 1-(4PIN/3)*ALPHAM*RO/M 6.92E+24 6.98E+24 7.01E+24 7.04E+24 7.08E+24 7.12E+24 7.16E+24 7.2E+24 7.24E+24 7.28E+24 1+2*(4PIN/3)*ALPHAM*RO/M 1.38E+25 1.4E+25 1.4E+25 1.41E+25 1.42E+25 1.42E+25 1.43E+25 1.44E+25 1.45E+25 1.46E+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) 13.52913 13.55767 13.57172 13.58564 13.59941 13.61305 13.62654 13.6399 13.65312 13.66619

Eg value 3.777274 3.830978 3.858297 3.885932 3.913889 3.942171 3.970785 3.999734 4.029024 4.05866

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 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 XN value 2.044397 2.039415 2.034446 2.029489 2.024544 2.019612 2.014691 2.009782 2.004885 2 (XM/XN)2 0.538334 0.540967 0.543613 0.546272 0.548944 0.551629 0.554327 0.557038 0.559762 0.5625

(XM-XN)2 0.296368 0.290969 0.285633 0.280359 0.275147 0.269996 0.264907 0.259878 0.254909 0.25 2(XM-XN)2 1.228049 1.223462 1.218945 1.214497 1.210117 1.205805 1.201558 1.197377 1.19326 1.189207 (2(XM-XN)2)1/4 1.052698 1.051714 1.050742 1.049782 1.048834 1.047899 1.046975 1.046063 1.045162 1.044274 28.8/(2(XM-XN)2)1/4 27.35827 27.38387 27.40921 27.43427 27.45906 27.48358 27.50783 27.53181 27.55552 27.57897

ALPHA-M 74.9504 75.7868 76.6232 77.4596 78.296 79.1324 79.9688 80.8052 81.6416 82.478 RO-VALUES 3.1845 3.254 3.3235 3.393 3.4625 3.523 3.6015 3.671 3.7405 3.81 M-VALUES 82.128 84.326 86.524 88.722 90.92 93.118 95.316 97.514 99.712 101.9 ALPHA-M*RO/M 2.90619 2.924486 2.943197 2.962291 2.981741 2.993873 3.021608 3.041983 3.062624 3.083819

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 7.33E+24 7.37E+24 7.42E+24 7.47E+24 7.52E+24 7.55E+24 7.62E+24 7.67E+24 7.72E+24 7.78E+24 1-(4PIN/3)*ALPHAM*RO/M 7.33E+24 7.37E+24 7.42E+24 7.47E+24 7.52E+24 7.55E+24 7.62E+24 7.67E+24 7.72E+24 7.78E+24 1+2*(4PIN/3)*ALPHAM*RO/M 1.47E+25 1.47E+25 1.48E+25 1.49E+25 1.5E+25 1.51E+25 1.52E+25 1.53E+25 1.54E+25 1.56E+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) 13.67913 13.69194 13.7046 13.71713 13.72953 13.74179 13.75391 13.7659 13.77776 13.78949

Eg value 4.088645 4.118987 4.14969 4.180759 4.2122 4.244018 4.27622 4.30881 4.341794 4.375179

Doping of As component in a Binary semiconductor like AlP 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 AlAsxP1-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 AlAsxP1-x III-V Ternary Semiconductors with in the Composition range of (0 3) Our results regarding the Electro Negativity values and Band Energy Gap of III-V 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.

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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