Investigation of CdSXSe1-x II-VI Ternary Semiconductor Band Energy Gap V.Rama Murthy & Alla.

Srivani Research Scholar Rayalaseema University P.G Department of Physics, T.J.P.S College Guntur-6 A.P India Abstract: CdSXSe1-x II-VI 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 CdS and CdSe 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 CdSXSe1-x II-VI 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 CdSXSe1-x II-VI 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, 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 CdSXSe1-x II-VI 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 II-VI Ternary compounds. 6) Doping of S component in a Binary semiconductor like CdSe 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 CdSXSe1-x II-VI Ternary Semiconductor.

9) The fair agreement between calculated and reported values of Band Energy Gaps of CdS and CdSe 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 CdSXSe1-x II-VI Ternary Semiconductor Objective: The main Objective of this paper is to calculate CdSXSe1-x II-VI Ternary Semiconductor Band Energy Gap values Purpose: The purpose of study is CdSXSe1-x II-VI Ternary Semiconductor Band Energy Gap and effect of concentration in Electro Negativity values of II-VI Ternary Semiconductors to represent additivity principle even in very low concentration range. This paper includes Electro Negativity values of II-VI ternary semiconductors and Band Energy Gap values in composition range (0<x<1). Theoretical Impact: Formula: Eg=[28.8/(2(XM-XN)2)1/4*(1- 12/1+2* 12)]POWER (XM/XN)2 Where: 12=[4 N/3]*[ M12* 12]/M12 Compound E.N value Cd 1.69 Zn 1.65 Te 2.1 Hg 2 Se S 2.55 2.58

Electro Negativity values of CdSXSe1-x II-VI Ternary Semiconductor X value 1-x value Compound XM value XN value XM/XN (XM/XN)2 XM-XN (XM-XN)2 2(XM-XN)2 (2(XM-XN)2)1/4 28.8/(2(XM0 0.1 0.15 0.2 0.25 0.3 0.35 1 0.9 0.85 0.8 0.75 0.7 0.65 CdSXSe1-x 1.65395 1.65593 1.65792 1.66389 1.65 7 9 4 1.65991 1.6619 1 2.1 2.1 2.1 2.1 2.1 2.1 2.1 0.78571 0.78759 0.78854 0.78948 0.79043 0.79138 0.79232 4 9 2 7 4 1 9 0.61734 0.62031 0.62179 0.62478 0.62628 0.62778 7 2 9 0.62329 5 3 5 -0.45 0.44604 0.44406 0.44208 0.44009 -0.4381 0.43611 0.19895 0.19543 0.19367 0.19193 0.19019 0.2025 4 0.19719 2 9 2 1 1.15069 1.14786 1.14646 1.14506 1.14367 1.14229 1.14091 1 6 3 7 6 2 5 1.03571 1.03507 1.03476 1.03444 1.03413 1.03381 1.03350 4 7 1 6 2 9 7 27.8069 27.8240 27.8325 27.841 27.8494 27.8578 27.8662

0 0

1.6658 2

0.7932

0.6292

-0.434

0.1884

1.1395

1.0331 27.874

N)2)1/4 2 1 2 5 9 9 M-VALUES 192.99 198 200 202 205 207 209 RO-VALUES 6.34 6.29 6.27 6.24 6.22 6.2 6.17 ALPHA-M 95.971 96.702 97.008 97.434 97.8 98.1 98.53 ALPHA-M 608.456 608.255 608.240 607.988 607.930 *RO 1 6 2 2 608.316 608.22 1 ALPHA3.15278 3.07199 3.04120 3.00984 2.96739 2.93826 2.90875 M*RO/M 6 8 1 2 5 1 6 4*PI*N 75.6488 75.6488 75.6488 75.6488 75.6488 75.6488 75.6488 VALUES 8 8 8 8 8 8 8 1.00E+ 1.00E+ 1.00E+ 1.00E+ 1.00E+ 1.00E+ 1.00E+ 10 POWER23 23 23 23 23 23 23 23 7.56E+ 7.56E+ 7.56E+ 7.56E+ 7.56E+ 7.56E+ 7.56E+ TOTAL 4*PI*N 24 24 24 24 24 24 24 4*PI*N/3 2.52E+ 2.52E+ 2.52E+ 2.52E+ 2.52E+ 2.52E+ 2.52E+ VALUES 24 24 24 24 24 24 24 (4PIN/3)*ALP 7.95E+ 7.75E+ 7.67E+ 7.59E+ 7.48E+ 7.41E+ 7.33E+ HAM*RO/M 24 24 24 24 24 24 24 1(4PIN/3)*ALP 7.95E+ 7.75E+ 7.67E+ 7.59E+ 7.48E+ 7.41E+ 7.33E+ HAM*RO/M 24 24 24 24 24 24 24 1+2*(4PIN/3)* ALPHAM*RO/ 1.59E+ 1.55E+ 1.53E+ 1.52E+ 1.5E+2 1.48E+ 1.47E+ M 25 25 25 25 5 25 25 1phi12/1+phi12 0.5 0.5 0.5 0.5 0.5 0.5 0.5 (X 28.8/(2 M X )2 1/4* N ) (1phi12/1+2*phi12 13.9034 13.9162 13.9247 13.9289 13.9331 ) 6 13.912 6 13.9205 3 4 5 5.07812 5.11985 5.14092 5.16213 5.18347 5.20495 5.22657 Eg value 5 7 5 1 4 6 8 X value 1-x value Compound XM value XN value XM/XN (XM/XN)2 XM-XN 0.55 0.45 0.6 0.4 0.65 0.35 0.7 0.3 0.75 0.25 0.8 0.2 0.85 0.15

2 6. 98

608.2

2.8690

75.648

1.00E+

7.56E+

2.52E+

7.23E+

7.23E+

1.45E+

13.937

5.2483

1.671881 1.673885 2.1 2.1 0.796134 0.797088 0.633829 0.635349 -0.42812 -0.42612

1.675891 1.677899 1.67991 1.681923 1.683939 2.1 2.1 2.1 2.1 2.1 0.798043 0.636873 -0.42411 0.799 0.799957 0.800916 0.801876 0.6384 0.639931 0.641466 0.643004 -0.4221 -0.42009 -0.41808 -0.41606

1.

0.

0.

-0

(XM-XN)2 2(XM-XN)2

0.183286 0.181574 1.135467 1.134121

0.179869 0.178169 0.176476 0.174788 0.173107 1.132781 1.131447 1.13012 1.128799 1.127484 1.03166 1.031356 1.031053 1.030752 1.030452 27.91618 27.92441 27.9326 27.94077 27.94891 224 226 228 231 233 6.03 6 5.98 5.96 5.93 101 101.09 101.45 102 102.55 609.03 606.54 606.671 607.92 608.1215 2.718884 2.683805 2.660838 2.631688 2.609964 75.64888 75.64888 75.64888 75.64888 75.64888 1.00E+23 1.00E+23 1.00E+23 1.00E+23 1.00E+23 7.56E+24 7.56E+24 7.56E+24 7.56E+24 7.56E+24 2.52E+24 2.52E+24 2.52E+24 2.52E+24 2.52E+24 6.86E+24 6.77E+24 6.71E+24 6.64E+24 6.58E+24 6.86E+24 6.77E+24 6.71E+24 6.64E+24 6.58E+24 1.37E+25 1.35E+25 1.34E+25 1.33E+25 1.32E+25 0.5 0.5 0.5 0.5 0.5

0.

1.

(2(XM-XN)2)1/4 1.032271 1.031965 (X 28.8/(2 M X )2 1/4 N ) 27.89966 27.90793 M-VALUES 219 221 RO-VALUES 6.08 6.05 ALPHA-M 100 100.3 ALPHA-M *RO 608 606.815 ALPHAM*RO/M 2.776256 2.745769 4*PI*N VALUES 75.64888 75.64888 10 POWER23 1.00E+23 1.00E+23

1.

27

75

1.

TOTAL 4*PI*N 7.56E+24 7.56E+24 4*PI*N/3 VALUES 2.52E+24 2.52E+24 (4PIN/3)*ALPH AM*RO/M 7E+24 6.92E+24 #VALUE! 7E+24 6.92E+24 1+2*(4PIN/3)*A LPHAM*RO/M 1.4E+25 1.38E+25 1phi12/1+phi12 0.5 0.5 28.8/(2(XMX )2 1/4*( N ) 1phi12/1+2*phi12) 13.94983 13.95397 Eg value 5.314487 5.336825

7.

2.

6.

6.

1.

13.95809 13.9622 13.9663 13.97038 13.97446 5.35931 5.381943 5.404725 5.427656 5.45074

13

5.

Doping of S component in a Binary semiconductor like CdSe and changing the composition of do pant has actually resulted in changing of Band Energy Gap. Future Plans: 1) Current data set of Electro Negativity values of CdSXSe1-x II-VI 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 CdSXSe1-x II-VI Ternary Semiconductors with in the Composition range of (0<x<1). 3) Our results regarding the Electro Negativity values and Band Energy Gap of IIVI 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): 35703582.. 3) Pauling, Linus (1960). Nature of the Chemical Bond. Cornell University Press. pp. 88107. . 4) Greenwood, N. N.; Earnshaw, A. (1984). Chemistry of the Elements. Pergamon. p. 30.. 5) Allred, A. L. (1961). "Electronegativity values from thermochemical data". Journal of Inorganic and Nuclear Chemistry 17 (34): 215221.. 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: 782793.. 7) Mulliken, R. S. (1935). "Electronic Structures of Molecules XI. Electroaffinity, Molecular Orbitals and Dipole Moments".J.Chem. Phys. 3: 573585.. 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)