INVESTIGATION OF STRUCTURAL, ELECTRONIC, ELASTIC AND OPTICAL PROPERTIES OF Cd1-x-yZnxHgyTe ALLOYS
Abstract
Structural, optical and electronic properties and elastic constants of Cd1-x-yZnx HgyTe alloys have been studied by employing the commercial code Castep based on density functional theory. The generalized gradient approximation and local density approximation were utilized as exchange correlation. Using elastic constants for compounds, bulk modulus, band gap, Fermi energy and Kramers–Kronig relations, dielectric constants and the refractive index have been found through calculations. Apart from these, X-ray measurements revealed elastic constants and Vegard’s law. It is seen that results obtained from theory and experiments are all in agreement.
References
K. Mitchell, J.A. Ibers, Chem. Rev. 102, 1929, (2002).
X.-Y. Huang, J. Li, Y. Zhang, A. Mascarenhas, J. Am. Chem. Soc. 125, 7049, (2003).
J.M. Steward, W.S. Chen, W.E. Deveny, R.A. Mickelson, S.K. Deb, A. Zunger, in: Proceedings of the 7th Conference on Ternary and Multinary Compounds, Materials Research Society, Pittsburgh, PA, p. 59, (1987)
D.-Y. Chung, T. Hogan, P. Brazis, M. Rocci-Lane, C. Kannewurf, M. Bastea, C. Uher, M.G. Kanatzidis, Science, 287(5455), 1024-1027 (2000).
B.V. Roboucha, A. Kisiel, A. Marcelli, M. Cestelli Guidi, M. Piccinini, E. Burattini, A. Mycielski, Statistical model of sphalerite structured quaternary A1−xBxYyZ1−y systems, Journal of Alloys and Compounds, 426(1–2), 31–42 (2006).
N.N. Berchenko, V.E. Krevs, and V.G. Sredin, Poluprovodnikovye tverdye rastvory AIIBVI i ikh primenenie (Solid Solutions between II–VI Semiconductors and Their Applications), Moscow: Voenizdat, (1982).
R.K. Ahrenkiel, B.M. Keyes, D.L. Levi, Keith A. Emery, T. L. Chu, S. S. Chu, Spatial Uniformity of Minority-Carrier Lifetime in Polycrystalline CdTe Solar Cells, Appl. Phys. Lett., 64(21), 2879-2881, (1994).
A. Parich, S.D. Pearson, T.K. Tran, et al., Growth and Characterization of HgCdTe Heterostructures by Metalorganic Molecular Beam Epitaxy, J. Cryst. Growth, 159, (1-4), 1152-1156, (1996).
Cs. Szeles, M.C. Driver, Proc. of Proc. SPIE Int. Soc. Opt. Eng., 3446(1), 2-9, SPIE, San Diego, CA, USA, (1998).
M. Schieber, T.E. Schlesinger, R.B. James, H. Hermon, H.Yoon, M. Goorsky, J. Crystal Growth 237–239(3), 2082-2090 (2002).
T.E. Schlesinger, J.E. Toney, H. Yoon, E.Y. Lee, B.A. Brunett, L. Franks, R.B. James, Mater. Sci. Eng.32, 103-189, (2001).
T.E. Schlesinger, B. Brunett, H. Yao, J. Van Scyoc, R.B.James, S. Egarievwe, K. Chattopadhyay, X. Ma, A.Burger, N. Giles, U. El-Hanany, A. Shahar, A. Tsigelman, J. Electron. Mater. 28(6), 864, (1999).
F.P. Doty, in: Proceedings of the Presentation at the 1998US Workshopon the Physics and Chemistry of II–VI Semiconductors, Charleston, SC, 21–22 October (1998).
L. Chibani, M. Hage-Ali, P. Siffert, J. Crystal Growth 161(1-4),153-158, (1996).
M. Fiederle, A. Fauler, J. Konrath, V. Babentsov, J. Franc, R.B. James, IEEE Trans. Nucl. Sci. 51(4), 1864-1868, (2004).
T.E. Schlesinger, R.B. James (Eds.), Semiconductors and Semimetals, 43, Academic Press, San Diego, (1995).
T. Asahi, O. Oda, Y. Taniguchi, A. Koyama, J. Crystal Growth 161(1-4) 20-27, (1996).
F. Bassani, S. Tatarenko, K. Saminadayar, J. Bleuse, N. Magnea, J.L. Pautrat, Appl. Phys. Lett., 58(23), 2651-2653, (1991).
M. B. Reine, Fundamental properties of mercury cadmium telluride Encyclopedia of Modern Optics, Academic Press, London, (2004).
D. G. Seiler, S. Mayo and J. R. Lowney, Semicond. Sci. Technol. 8 753-776, (1993).
K. Hacini, H. Meradji, S. Ghemid, and F. El Haj Hassan, Chin. Phys. B, 21(3), 036102 (2012).
M. D. Segall, P. J. D. Lindan, M. J. Probert, C. J. Pickard, P. J. Hasnip, S. J. Clark, M. C. Payne, J. Phys.: Condens. Matter 14 (11), 2717–2744 (2002).
T. H. Fischer, J. Almlöf, J. Phys. Chem. 96, 9768–9774, (1992).
H.J. Monkhorst, J.D. Pack, Special points for Brillouin-zone integrations, Phys. Rev. B, 13 (12) 5188–5192, (1976)
M. Androulidaki, N. T. Pelekanos, K. Tsagaraki, E. Dimakis, E. Iliopoulos, Phys. Status Solidi C, 3(6) 1866–1869, (2006).
J. Wu, W. Walukiewicz, K.M. Yu, J.W. Ager III, S.X. Li, E.E. Haller, Hai Lu, William J. Schaff Solid State Communications, 127, 411–414, (2003).
N. W. Ashcroft and N. D. Mermin, Solid State Physics, Philadelphia, PA: Saunders College, (1976).
J. F. Nye, Physical Properties of Crystals, Oxford: Clarendon, (1957).
M. Born and K. Huang, Dynamical Theory of Crystal Lattices, Oxford: Clarendon, (1956).
Z. J. Wu, E.J. Zhao, H. P. Xiang, X. F. Hao, X. J. Liu, and J. Meng, Phys. Rev. B, 76, 054115, (2007).
H. Zhai, X. Li, J. Du, Materials Transactions, 53(7), 1247-1251, (2012).
K. A. Matori, M. H. M. Zaid, H. A. A. Sidek, M. K. Halimah, Z. A. Wahab and M. G. M. Sabri, Int., J.Physical Sciences, 5, 2212-2216, (2010).
A. V. Ponomareva, E. I. Isaev, Yu. Kh. Vekilov, and I. A. Abrikosov Phys. Review B, 85, 144117, (2012).
D.P. Rai, M.P. Ghimire, R.K. Thapa, A DFT study of BeX (X = S, Se, Te) semiconductor: modified Becke Johnson (mBJ) potential, Semiconductor Physics and Technology, 48(11), 1447-1457, (2014).
P.H. Mott, J.R. Dorgan, C.M. Roland. J. Sound and Vibrations, 312(4), 572-575, (2008).
V. V. Bannikov, I. R. Shein, A. L. Ivanovskii, Phys. Status Solidi, Rapid Res. Lett. 3 89–91, (2007)
I. N. Frantsevich, F. F. Voronov, S. A. Bokuta, Elastic Constants and Elastic Moduli of Metals and Insulators Handbook, in: I.N. Frantsevich (Ed.), Naukova Dumka Kiev, 60, (1983).
Y. Shena, Z. Zhou, J. Appl. Phys., 103, 074113–074118, (2008).
L. Kleinman, Deformation potentials in silicon, 1. uniaxial strain. Phys. Rev., 128(6), 2614-2621, (1962).
X. Zhang, P. Kung, A. Saxler, D. Walker, Τ. Wang and M. Razeghi, Acta Physica Polonica A, 88(4), (1995).
J.R. Chrisman, “Fundamentals of Solid State Physics”, John Wiley & Sons, New York, 217-218, (1988).
I. Johnston, G. Keeler, R. Rollins, S. Spicklemire, Solid State Physics Simulations, The Consortium for Upper-Level Physics Software, John Wiley, New York, 45-59, (1996).
E. Schreiber, O.L. Anderson, N. Soga, Elastic Constants and their Measurements, New York: McGraw-Hill, 102-105, (1973).
M. Fox, Optical Properties of Solids, Oxford Master Series in Con-densed Matter Physics, Oxford University Press, Oxford, New York, (2001).
M. Dadsetani, A. Pourghazi, Phys. Rev. B, 73, 195102–195108, (2006).
F. Wooten, “Optical Properties of Solids”, Academic, New York, (1972).
S. M. Hosseini, Physica B, 403 1907–1915, (2008).
R. Khenata, A. Bouhemadou, M. Sahnoun, A.H. Reshak, H. Baltache, M. Rabah, Comput. Mater. Sci. 38 (1) 29-38, (2006).
Z. Hongsheng, Y. Tao, W. Deqi, First Principles Calculations of the Electronic and Optical Properties in CdxZnl-xSe Ternary Alloys, Journal of Ningxia University (Natural Science Edition), 33(1), 43-49, (2012).
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