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.
References
[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.
