Simplistic Theoretical Model for Optoelectronic Properties of Compound Semiconductors

Suresh Pal¹, Rajendra Kumar Tiwari¹, Dinesh Chandra Gupta¹ and Ajay Singh Verma^2,

¹Department of Physics, Jiwaji University, Gwalior, India

²Department of Physics, Banasthali Vidyapith, Rajasthan, India

Cite this paper:
Suresh Pal, Rajendra Kumar Tiwari, Dinesh Chandra Gupta and Ajay Singh Verma. Simplistic Theoretical Model for Optoelectronic Properties of Compound Semiconductors. Journal of Materials Physics and Chemistry. 2014; 2(2):20-27. doi: 10.12691/jmpc-2-2-2

Abstract

In order to enhance the viability of this paper for that issue, we suggest adding this to the beginning of the abstract: “Binary semiconductors with (A^IIB^VI and A^IIIB^V) composition and ternary semiconductors (A^IB^IIIC₂^VI and A^IIB^IVC₂^V) composition, owing to their devices such as photonic crystals, wave guides, solar cells and detectors, are technologically important materials. The recent successful fabrication of the blue-green laser diode based on these compounds has renewed interest in their opto-electronic properties. In this paper we present a relationship to evaluate opto-electronic properties such as electronic polarizability (α), refractive index (n), band gap (Eg) and optical electronegativity (Δχ*) in terms of product of ionic charges (PIC) and average atomic number of constituent atoms (Z_av) for zinc blende (A^IIB^VI and A^IIIB^V) and chalcopyrites (A^IB^IIIC₂^VI and A^IIB^IVC₂^V) structured solids. The electronic polarizability (α), refractive index (n), band gap (E_g) and optical electronegativity (Δχ) of these solids exhibit a linear relationship when plotted against the average atomic number constituent atoms (Z_av), but fall on different lines due to the region of product of the ionic charges (PIC) of the compounds. We have applied the proposed relation on these solids and found a better agreement with the experimental data as compared to the values evaluated by earlier researchers so far.

Keywords:
referactive index band gap optical electronegativity chalcopyrites

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References:

[1]	R. R. Reddy, K. R. Gopal, N. Ahammed, K. Narasimhulu, L. S. S. Reddy and C. V. K. Reddy, “Correlation between optical electronegativity, molar refraction, ionicity and density of binary oxides, silicates and minerals”, Solid State Ionics, 176, 401-407, (2005).
[2]	M. A. Salem, “The Dependence of the High Frequency Refractive Index on the Electronegativities in Compound Semiconductors”, Chinese J. Phys., 41, 288-295, (2003).
[3]	R. R. Reddy, M. R. Kumar and T. V. R. Rao, “Studies on the optoelectronic properties of III–V and II–VI group semiconductors from optical electronegativities”, Infrared Phys., 34, 99-102, (1993).
[4]	K. D. Sen, C. K. Jorgensen, Electronegetivity, Springer-Verlag, New York, (1987).
[5]	D. Xue, K. Betzler and H. Hesse, “Dielectric properties of I-III-VI2-type chalcopyrite semiconductors” Phys. Rev. B, 62, 13546-13551, (2000).
[6]	A. Simunek and J. Vackar, “Hardness of Covalent and Ionic Crystals: First-Principle Calculations” Phys. Rev. Letts, 96, 085501 (1-4), (2006).
[7]	B. Derby, “Correlations for single-crystal elastic constants of compound semiconductors and their representation in isomechanical groups” Phys. Rev. B, 76, 054126 (1-12), (2007).
[8]	S. Kamran, K. Chen, L. Chen, “Semiempirical formulae for elastic moduli and brittleness of diamondlike and zinc-blende covalent crystals” Phys. Rev. B, 77, 094109 (1-5), (2008).
[9]	A.H. Reshak, “Linear, nonlinear optical properties and birefringence of AgGaX2 (X=S, Se, Te) compounds”, Physica B, 369, 243-253, (2005).
[10]	N. M. Ravindra and V. K. Srivastava, “Variation of refractive index with energy gap in semiconductors, Infrared Phys., 19, 603-604, (1979).
[11]	V. P. Gupta and N. M. Ravindra, “Comments of the Moss formula”, Physica Status Solidi B, 100, 715-719, (1980).
[12]	V. Kumar and B. S. R. Sastry, “Heat of formation of ternary chalcopyrite semiconductors” J. Phys. Chem. Solids, 66, 99-102, (2005).
[13]	L. Pauling, The Nature of the Chemical Bond, 3rd ed. (Cornell University Press, Ithaca, 1960).
[14]	M. S. Omar, A modified model for calculating lattice thermal expansion of I2–IV–VI3 and I3–V–VI4 tetrahedral compounds, Mater. Res. Bull., 42, 961-966, (2007).
[15]	A. S. Verma, “Bulk modulus and hardness of chalcopyrite structured solids”, Materials Chemistry and Physics 139, 256-261 (2013).
[16]	A. S. Verma, “Elastic moduli and brittleness of diamondlike and zinc blende structured solids“, Materials Chemistry and Physics 135, 106-111 (2012).
[17]	A. S. Verma, “Ab initio studies of structural, electronic, optical, elastic and thermal properties of Ag-chalcopyrites (AgAlX2: X=S, Se)”, Materials Science and Semiconductors Processing, 26, 187-198 (2014).
[18]	A S Verma, N. Pal, B K Sarkar, R Bhandari and V K Jindal,“Dielectric constants of zinc-blende semiconductors” Phys. Scr. 85, 015705 (1-4) (2012).
[19]	D. S. Chemla, “Dielectric Theory of Tetrahedral Solids: Application to Ternary Compounds with Chalcopyrite Structure” Phys. Rev. Lett., 26, 1441-1444, (1971).
[20]	J. A. Van Vechten, “Quantum Dielectric Theory of Electronegativity in Covalent Systems. I. Electronic Dielectric Constant” Phys. Rev., 182, 891-905, (1969).
[21]	C. Kittel, Introduction to Solid State Physics, 4th ed., 1971, Second Reprint, New Delhi, pp. 224, 459, (1974).
[22]	N. M. Ravindra, V. K. Srivastava, Variation of electronic polarizability with energy gap in compound semiconductors, Infrared Physics, 19, 605-606, (1979).
[23]	N. M. Ravindra, V. K. Srivastava, Electronic polarizability as a function of the penn gap in semiconductors, Infrared Physics, 20, 67-69, (1980).
[24]	R. R. Reddy, M. R. Kumar, T. V. R. Rao, “Relationships between lattice energy, interionic distance and plasma energy in II–VI group semiconductors“, J. Phys. Chem. Solids 54, 603-605, (1993).
[25]	R. R. Reddy, Y. N. Ahammed, K. R. Gopal, P. A. Azeem, T. V. R. Rao, P. M. Reddy, “Optical electronegativity, bulk modulus and electronic polarizability of materials”Optical Materials, 14, 355-358, (2000).
[26]	V. Kumar, G. M. Prasad, D. Chandra, “Lattice energy and electronic polarizability of binary tetrahedral semiconductors” J. Phys. Chem. Solids, 58, 463-465, (1997).
[27]	T. S. Moss, Proc. Phys. Soc. B, 63, 167, (1950).
[28]	T. S. Moss, “Relation between the refractive index and energy gap of semiconductors” Physica Status Solidi B, 131, 415-427, (1985).
[29]	N. M. Ravindra and V. K. Srivastava, “Variation of refractive index with energy gap in semiconductors” Infrared Phys., 19, 603-604, (1979).
[30]	V. P. Gupta and N. M. Ravindra, “Comments of the Moss formula”, Physica Status Solidi B, 100, 715-719, (1980).
[31]	P. J. L. Herve and L. K. J. Vandamme, “General relation between refractive index and energy gap in semiconductors” Infrared Phys, 35, 609-615, (1994).
[32]	M. Anani, C. Mathieu, S. Lebid, Y. Amar, Z. Chama and H. Abid, “Model for calculating the refractive index of a III–V semiconductor”, Computational Materials Science, 41, 570-575, (2008).
[33]	J. A. Duffy, Bonding, Energy Level and Bonds in Inorganic Solids, Longman, England, (1990).
[34]	J. A. Duffy, “Ultraviolet transparency of glass: a chemical approach in terms of band theory, polarisability and electronegativity” Phys. Chem Glass, 42, 151-157, (2001).
[35]	N. F. Mott, R. W. Gurney, Electronic Processes and Ionic Crystals, Oxford University, Press, London, 1940.
[36]	A. Smekel, Z. Phys, 55, 350, (1929).
[37]	F. Zwicky, Proc. Natl. Acad. Sci. U. S. A., 15, 816, (1929).
[38]	B. Gudden and R. W. Pohl, Z. Phys. 37, 881, (1926).
[39]	G. L. Pearson and J. Bardeen, “Electrical Properties of Pure Silicon and Silicon Alloys Containing Boron and Phosphorus” Phys. Rev. 75, 865-883, (1949).
[40]	R. R. Reddy, Y. N. Ahammed, K. R. Gopal and D. V. Raghuram, “Optical electronegativity and refractive index of materials”, Optical Materials, 10, 95-100, (1998).
[41]	R. R. Reddy, K. R. Gopal, K. Narasimhulu, L. S. S. Reddy, K. R. Kumar, C. V. K. Reddy and S. N. Ahmed, “Correlation between optical electronegativity and refractive index of ternary chalcopyrites, semiconductors, insulators, oxides and alkali halides”, Optical Materials, 31, 209-212 (2008).
[42]	J. L. Shay, J.H. Wernick, Ternary Chalcopyrite Semiconductors: Growth, Electronic Properties and Applications, Pergamon Press, Oxford, 1974.
[43]	V. P. Gupta, V. K. Srivastava and P. N. L. Gupta, “Electronic properties of chalcopyrites”, J. Phys. Chem. Solids, 42, 1079-1085, (1981).