In this work, the band
structure and optical-related properties of CuIn0.5Ga0.5Se2 thin film are presented. The calculation is performed by the full-potential
linearized augmented plane wave (FPLAPW) method. The spin-orbit coupling is considered. The result for
the dielectric function is in good agreement with earlier experimental
measurements and simulations. Based on the complex dielectric function, the
dielectric constant, the absorption coefficient, the complex refractive index
and the reflectivity at normal incidence are explored. We found that they are
comparable with the earlier results.
References
[1]
M. D. Archer and R. Hill, “Clean Electricity from Photovoltaics,” Imperial, London, 2001. http://dx.doi.org/10.1142/p139
[2]
P. Jackson, D. Hariskos, E. Lotter, S. Paetel, R. Wuerz, et al., “New World Record Efficiency for Cu(In, Ga)Se2 Thin-Film Solar Cells beyond 20%,” Progress in Photovoltaics: Research and Applications, Vol. 19, No. 7, 2011, pp. 894-897.
http://dx.doi.org/10.1002/pip.1078
[3]
E. Yassitepe, Z. Khalifa, G. H. Jaffari, C. S Chou, S. Zulfiqar, et al., “A New Route for the Synthesis of CuIn0.5Ga0.5Se2 Powder for Solar Cell Applications,” Powder Technology, Vol. 201, No. 1, 2010, pp. 27-31.
http://dx.doi.org/10.1016/j.powtec.2010.02.034
[4]
R. Diaz, T. Martin, J. M. Merino, M. Leon, J. L. Martin de Vidales, et al., “Composition Effects on Structural and Optical Infrared Properties of CuIn0.5Ga0.5Se2,” Journal of Applied Physics, Vol. 88, No. 4, 2000, pp. 1776-1783.
http://dx.doi.org/10.1063/1.1303063
[5]
P. Pluengphon, T. Bovornratanaraks, S. Vannarat and U. Pinsook, “The Effects of Na on High Pressure Phases of CuIn0.5Ga0.5Se2 from ab initio Calculation,” Journal of Physics: Condensed Matter, Vol. 24, No. 9, 2012, pp. 095802-095807.
http://dx.doi.org/10.1088/0953-8984/24/9/095802
[6]
J. Krustok, J. Raudoja, J. H. Sh?n, M. Yakushev and H. Collan, “The Role of Deep Donor-Deep Acceptor Complexes in CIS-Related Compounds,” Thin Solid Film, Vol. 361, 1999, pp. 406-410. http://dx.doi.org/10.1016/S0040-6090(99)00756-7
[7]
R. Diaz, “Dependence of Energy Gaps with the Stoichiometric Deviation in a CuIn0.5Ga0.5Se2 Ingot: A Schematic Band Model,” Journal of Vacuum Science and Technology A-Vacuum Surfaces and Films, Vol. 19, No. 5, 2001, pp. 2407-2413.
http://dx.doi.org/10.1116/1.1387054
[8]
P. Blaha, K. Schwarz, G. K. H. Madsen, D. Kvasnicka and J. Luitz, “WIEN2K, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties,” Karlheinz Schwarz, Techn. Universit?t Wien, Austria, 2001.
[9]
A. D. Claudia and J. O. Sofo, “Linear Optical Properties of Solids within the Full-Potential Linearized Augmented Planewave Method,” Computer Physics Communications, Vol. 175, No. 1, 2006, pp. 1-14.
http://dx.doi.org/10.1016/j.cpc.2006.03.005
[10]
R. Chen and C. Persson, “Parameterization of CuIn1-xGaxSe2 (x=0, 0.5, and 1) Energy Bands,” Thin Solid Film, Vol. 519, No. 21, 2011, pp. 7503-7507. http://dx.doi.org/10.1016/j.tsf.2010.12.216
[11]
R. Chen and C. Persson, “Band-Edge Density-of-States and Carrier Concentrations in Intrinsic and P-Type CuIn1?xGaxSe2,” Journal of Applied Physics, Vol. 112, No. 10, 2012, pp. 103708-103718. http://dx.doi.org/10.1063/1.4767120
[12]
S. G. Choi, R. Chen, C. Persson, T. J. Kim, S. Y. Hwang et al., “Dielectric Function Spectra at 40 K and Critical-Point Energies for CuIn0.7Ga0.3Se2,” Applied Physics Letter, Vol. 101, No. 26, 2012, pp. 261903-261906.
http://dx.doi.org/10.1063/1.4773362
[13]
S. Minoura, K. Kodera, T. Maekawa, K. Miyazaki, S. Niki, et al., “Dielectric Function of Cu(In, Ga)Se2-based Polycrystalline Materials,” Journal of Applied Physics, Vol. 113, No. 6, 2013, pp. 063505-063518. http://dx.doi.org/10.1063/1.4790174
[14]
P. D. Paulson, R. W. Birkmire and W. N. Shafarman, “Optical Characterization of CuIn1-xGaxSe2 Alloy Thin Films by Spectroscopic Ellipsometry,” Journal of Applied Physics, Vol. 94, No. 2, 2003, pp. 879-888. http://dx.doi.org/10.1063/1.1581345
[15]
S. Theodoropoulou, D. Papadimitriou, K. Anestou, C. Cobet and N. Esser, “Optical Properties of CuIn1-xGaxSe2 Quaternary Alloys for Solar-energy Conversion,” SemiConductor Science and Technology, Vol. 24, No. 1, 2008, pp. 015014-015021.
http://dx.doi.org/10.1088/0268-1242/24/1/015014
[16]
S. H. Han and D. Levi, “Comment on “Optical Characterization of CuIn1?xGaxSe2 Alloy Thin Films by Spectroscopic Ellipsometry,” Journal of Applied Physics, Vol. 100, No. 9, 2006, pp. 096102-096103.
http://dx.doi.org/10.1063/1.2374223
[17]
R. Chen and C. Persson, “Band Structure and Optical Properties of CuInSe2,” The 4th International Conference on Advanced Materials Research, Macau, 22-23 January 2014.
