Band Structure and Optical Properties of CuInSe₂

Abstract:

In this work, the electronic structure and dielectric function of chalcopyrite CuInSe₂ are presented. The results are based on the full-potential linearized augmented plane wave (FPLAPW) method using the generalized gradient approximation (GGA) plus an onsite Coulomb interaction U of the Cu d states. The dielectric constant, absorption coefficient and refractive index are explored by means of optical response. The spin-orbit coupling effect is considered for the calculations of electronic structure and optical properties. We find that the results based on our calculation method have good agreement compared with experimental and other earlier simulations results.

• Periodical: Advanced Materials Research (Volume 894)
• Pages: 254-258
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.894.254
• Online since: February 2014
• Authors: Rong Zhen Chen, Clas Persson
• Keywords: Absorption Coefficient, Band Structure, Chalcopyrite, CuInSe₂, Dielectric Function, Refractive Index, Solar Cell, Spin-Orbit Coupling

References

[1] M.D. Archer and R. Hill: Clean Electricity from Photovoltaics (Imperial, London, 2001).

[2] P. Jackson, D. Hariskos, E. Lotter, S. Paetel, R. Wuerz, R. Menner, W. Wischmann, M. Powalla: Prog. Photovolt. Res. Appl. 19 (2011), p.894.

DOI: 10.1002/pip.1078

[3] J.E. Jaffe and A. Zunger: Phys. Rev. B 28 (1983), p.5822.

[4] M.I. Alonso, K. Wakita, J. Pascual, M. Garriga, and N. Yamamoto: Phys. Rev. B 63, (2001), p.075203.

[5] C. Parlak, and R. Eryigit: Phys. Rev. B 66 (2002), p.165201.

[6] H. Zhao, and C. Persson: Thin Solid Films 519 (2011), p.7508.

[7] S.H. Han, C. Persson, F.S. Hasoon, H.A. Thani, A.M. Hermann, and D. Levi: Phys. Rev. B 74 (2006) , p.085212.

[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. Universität Wien, Austria, 2001).

[9] A.D. Claudia, and J.O. Sofo: Comput. Phys. Commun. 175 (2006), p.1.

[10] C. Persson: Thin Solid Films 517 (2009), p.2374.

[11] C. Persson: Appl. Phys. Lett. 93 (2008), p.072106.

[12] R. Chen, and C. Persson: J. Appl. Phys. 112 (2012), p.103708.

[13] R. Chen, and C. Persson: Thin Solid Films 519 (2011), p.7503.

[14] S.G. Choi, R. Chen, C. Persson, T.J. Kim, S.Y. Hwang, Y.D. Kim, and L.M. Mansfield: Appl. Phys. Lett. 101 (2012), p.261903.

[15] O. Madelung (Ed. ): Semiconductors - Basic Data (2nd ed. ) (Springer, Berlin 1996).

[16] M. Belhadj, A. Tadjer, B. Abbar, Z. Bousahla, B. Bouhafs, and H. Aourag: Phys. stat. sol. (b) 241 (2004), p.2516.

DOI: 10.1002/pssb.200302045

[17] A. Soni, A. Dashora, V. Gupta, C.M. Arora, M. Rerat, B.L. Ahuja, and R. Pandey: J. Electron. Mater. 40 (2011), p.2197.

[18] M.I. Alonso, K. Wakita, J. Pascual, M. Garriga, and N. Yamamoto: Phys. Rev. B 63 (2001), p.075203.