Calculation of AlxGa1-xP III-V Ternary Semiconductor Band Energy Gap

Abstract: AlxGa1-xP 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 AlP and GaP 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 AlxGa1-xP 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 AlxGa1-xP 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 AlxGa1-xP 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 Band Energy Gap of III-V Ternary compounds. 6) Doping of Al component in a Binary semiconductor like GaP 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 AlxGa1-xP III-V Ternary Semiconductor. 9) The fair agreement between calculated and reported values of Band Energy Gaps of AlP and GaP 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 AlxGa1-xP III-V Ternary Semiconductor. 11) The degree of doping in semiconductors makes a large difference in conductivity. To a point, more doping in Semiconductors leads to higher conductivity. 12) In this paper Ternary compositions allow adjusting the band gap within the range of the involved binary compounds AlP and GaP. 13) Wide bandgap semiconductors are Semiconductor materials with electronic band gaps larger than one or two electronvolts (eV). The exact threshold of "wideness" often depends on the application, such as optoelectronic and power devices. Wide bandgap materials are often utilized in applications in which high-temperature operation is important Objective: The main Objective of this paper is to calculate AlxGa1-xP III-V Ternary Semiconductor Band Energy Gap values

Purpose: The purpose of study is AlxGa1-xP 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 AlxGa1-xP 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 AlxGa1-xP XM value 1.8 1.767479 1.75144 1.73555 1.719797 1.70419 1.688726 1.673401 1.658215401 1.643168 XN value 2.1 3.1 4.1 5.1 6.1 7.1 8.1 9.1 10.1 11.1 XM/XN 0.8571429 0.570155 0.427181 0.3403 0.2819339 0.240027 0.208485 0.18389 0.164179743 0.148033 (XM/XN)2 0.7346939 0.325076 0.182483 0.11581 0.0794867 0.057613 0.043466 0.033816 0.026954988 0.021914 XM-XN -0.3 -1.33252 -2.34856 -3.36445 -4.380203 -5.39581 -6.41127 -7.4266 -8.4417846 -9.45683 (XM-XN)2 0.09 1.775611 5.515733 11.3195 19.186178 29.11476 41.10444 55.15437 71.26372722 89.43168 2(XM-XN)2 1.0643702 3.42383 45.75105 2555.78 596506.4 5.81E+08 2.36E+12 4.01E+16 2.83478E+21 8.35E+26 (2(XM-XN)2)1/4 1.0157181 1.360279 2.60076 7.11018 27.790975 155.2759 1239.988 14150.77 230743.7115 5375321 28.8/(2(XM-XN)2)1/4 28.354325 21.17213 11.07369 4.05053 1.0363077 0.185476 0.023226 0.002035 0.000124814 5.36E-06 aM12 Values 72.88 72.2 71.8 71.5 71.1 70.7 70.4 70 69.7 69.3 r12-VALUES 4.13 3.96 3.87 3.79 3.7 3.62 3.53 3.45 3.36 3.28 M12-VALUES 100.7 96.4 94.3 92.2 90 87.9 85.7 83.6 81.5 79.3 aM12 *r12 values 300.9944 285.912 277.866 270.985 263.07 255.934 248.512 241.5 234.192 227.304 aM12*r12/ M12 values 2.9890209 2.965892 2.946617 2.9391 2.923 2.91165 2.89979 2.888756 2.873521472 2.866381 4*PI*N VALUES 75.64888 75.64888 75.64888 75.6489 75.64888 75.64888 75.64888 75.64888 75.64888 75.64888 10 POWER23 1.00E+23 1.00E+23 1.00E+23 1.00E+23 1.00E+23 1.00E+23 1.00E+23 1.00E+23 1.00E+23 1.00E+23 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 7.537E+24 7.48E+24 7.43E+24 7.4E+24 7.371E+24 7.34E+24 7.31E+24 7.28E+24 7.24596E+24 7.23E+24 1-(4PIN/3)*ALPHAM*RO/M 7.537E+24 7.48E+24 7.43E+24 7.4E+24 7.371E+24 7.34E+24 7.31E+24 7.28E+24 7.24596E+24 7.23E+24 1+2*(4PIN/3)*ALPHAM*RO/M 1.507E+25 1.5E+25 1.49E+25 1.5E+25 1.474E+25 1.47E+25 1.46E+25 1.46E+25 1.44919E+25 1.45E+25 1-f12/1+2*f12 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-f12/1+2*f12) 14.177162 10.58606 5.536843 2.02526 0.5181538 0.092738 0.011613 0.001018 6.24069E-05 2.68E-06 Eg value 7.0156129 2.153361 1.366573 1.08516 0.9490809 0.871968 0.823932 0.792154 0.77030115 0.75491 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 1.628256 1.613481 1.598839 1.58433 1.569953 1.555706 1.541588 1.527599 1.513737 1.5 XN value 13.1 14.1 15.1 16.1 17.1 18.1 19.1 20.1 21.1 22.1 XM/XN 0.124294 0.114431 0.105883 0.098406 0.09181 0.085951 0.080711 0.076 0.071741 0.067873 (XM/XN)2 0.015449 0.013095 0.011211 0.009684 0.008429 0.007388 0.006514 0.005776 0.005147 0.004607 XM-XN -11.4717 -12.4865 -13.5012 -14.5157 -15.53 -16.5443 -17.5584 -18.5724 -19.5863 -20.6 (XM-XN)2 131.6009 155.9132 182.2814 210.7047 241.1824 273.7137 308.2978 344.9341 383.6217 424.36 2(XM-XN)2 4.13E+39 8.6E+46 7.45E+54 2.68E+63 4.01E+72 2.49E+82 6.41E+92 6.8E+103 3E+115 5.6E+127 (2(XM-XN)2)1/4 8.02E+09 5.42E+11 5.22E+13 7.2E+15 1.42E+18 3.97E+20 1.59E+23 9.1E+25 7.42E+28 8.64E+31 28.8/(2(XM-XN)2)1/4 3.59E-09 5.32E-11 5.51E-13 4E-15 2.04E-17 7.25E-20 1.81E-22 3.17E-25 3.88E-28 3.34E-31 aM12 Values 69 68.6 68.2 67.9 67.5 67.2 66.8 66.5 66.1 65.75 r12-VALUES 3.19 3.1 3.02 2.93 2.85 2.76 2.68 2.59 2.51 2.42 M12-VALUES 77.2 75.1 72.9 70.8 68.6 66.5 64.4 62.2 60.1 57.95 aM12 *r12 values 220.11 212.66 205.964 198.947 192.375 185.472 179.024 172.235 165.911 159.115 aM12*r12/ M12 values 2.851166 2.831691 2.825295 2.809986 2.8043 2.789053 2.779876 2.769051 2.760582 2.745729 4*PI*N VALUES 75.64888 75.64888 75.64888 75.64888 75.64888 75.64888 75.64888 75.64888 75.64888 75.64888 10 POWER23 1.00E+23 1.00E+23 1.00E+23 1.00E+23 1.00E+23 1.00E+23 1.00E+23 1.00E+23 1.00E+23 1.00E+23 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 7.19E+24 7.14E+24 7.12E+24 7.09E+24 7.07E+24 7.03E+24 7.01E+24 6.98E+24 6.96E+24 6.92E+24 1-(4PIN/3)*ALPHAM*RO/M 7.19E+24 7.14E+24 7.12E+24 7.09E+24 7.07E+24 7.03E+24 7.01E+24 6.98E+24 6.96E+24 6.92E+24 1+2*(4PIN/3)*ALPHAM*RO/M 1.44E+25 1.43E+25 1.42E+25 1.42E+25 1.41E+25 1.41E+25 1.4E+25 1.4E+25 1.39E+25 1.38E+25 1-f12/1+2*f12 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-f12/1+2*f12) 1.8E-09 2.66E-11 2.76E-13 2E-15 1.02E-17 3.63E-20 9.05E-23 1.58E-25 1.94E-28 1.67E-31 Eg value 0.732636 0.726979 0.723086 0.720547 0.719067 0.718426 0.718459 0.719039 0.720066 0.721461

Doping of Al component in a Binary semiconductor like GaP 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 AlxGa1-xP 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 AlxGa1-xP 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.. 14) 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). 15) Ghosh, D.K., Samantha, L.K. and Bhar, G.C., Pramana, 23(4), 485 (1984). 16) CRC Handbook of Physics and Chemistry, 76th edition. 17) Sanderson, R. T. (1983). "Electronegativity and bond energy". Journal of the American Chemical Society 105: 2259 18) Murthy, Y.S., Naidu, B.S. and Reddy, P.J., “Material Science &Engineering,”B38, 175 (1991)

Related Articles - : Band Energy Gap, Composition, Electro Negativity, Molecular weight, density, optical polarizability.,

Email this Article to a Friend! Receive Articles like this one direct to your email box! Subscribe for free today!