OPJ  Vol.1 No.2 , June 2011
First-Principles Study of the Optical Properties of SrHfO3
Abstract: The optical properties of SrHfO3,were studied by first principle using the density functional theory.The dielectric functions and optical constants are calculated using the full potential–linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation(GGA)by Wien2k package. The theoretical calculated optical properties and energy loss(EEL)spectrum yield a static refractive index of1. 924and a Plasmon energy of 27eVfor cubic phase. The complex dielectric functions are calculated which are in good agreement with the available experimental results.
Cite this paper: nullH. Salehi and H. Tolabinejad, "First-Principles Study of the Optical Properties of SrHfO3," Optics and Photonics Journal, Vol. 1 No. 2, 2011, pp. 75-80. doi: 10.4236/opj.2011.12012.

[1]   J. P. Perdew, JA Chevary, et al, Phys.Rev.B46, (1992) 6671-6687

[2]   J. P. Perdew, Physical. B172, (1991) 1-6

[3]   Y. M. Ji, D. Y. Jiang, Z. H. Wu, T. Feng. J. L. Shi, Mater.Res.Bull.40 (2005)1521

[4]   I. R. Shein, V. L. Kozhevnikov, A.L. Ivanovskii, Solid State Sci. 10 (2008) 217.

[5]   C. M. I. Okoye, J. Phys.: Condens. Matter 15 (2003) 5945.

[6]   S. Lin, Z. Xiu, J. Liu, F. Xu, W. Yu, J. Yu, G. Feng, J. Alloy. Compd 457(2008) L12.

[7]   V. M. Longo, L. S. Cavalcante, A. T. de Figneiredo, L. P. Santos, E. Longo, J. A. Varela, J. R. Sambrano, C. A. Paskocimas, F. S. De Vicente and A. C. Hernandes, Appl. Phys. Lett. 90 (2007) 091906.

[8]   M. G. Stachiotti, G.Fabricius, R. Alonso, C.O.Rodriguet, Phys.Rev.B58 (1998)8145.

[9]   R. Vali, Solid state communications, 148(2008)29-31.

[10]   C. Rossel, M. sousa, C. Marchiori and et at Microelec. Eng 84(2007)1869.

[11]   B. J. Kennedy, C. J. Howard. B. C. Chakoumakos, Phys.Rev.B60 (1999)2972.

[12]   J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B46, (1992) 6671-6687.

[13]   M. Peterson, F. Wanger, L. Hufnagel, M. Scheffler, P. Blaha and K. Schwarz, Computer Physics Communications, 126, (2000) 294-309.

[14]   P. Blaha and K. Schwarz, WIEN2k, Vienna University of Technology Austria (2009).

[15]   F. Wooten, Optical properties of solids, Academic Press, New York (1972).

[16]   M. Sousa, C. Rossel, C. Marchiori, D. Caimi, J.P. Locquet, D.J. Webb, K. Babich, J.W. Seo, C. Dieker, J. Appl. Phys. 102 (2007) 104103.

[17]   Z. Feng, H. ShouxinCui, C. HengshuaiLi, Journal of Physics and Chemistry of Solids 70 (2009) 412-416.