Electronic Structure and Optical Properties of SrTi_0.5Zr_0.5O₃

Abstract:

The electronic-energy band structure and optical properties of SrTi_0.5Zr_0.5O₃ are calculated by the pseudo-potential plane wave (PP-PW) mehod with the generalized gradient approximation (GGA). The energy band structure, density of states (DOS) are obtained. The optical properties including the dielectric function, reflectivity, absorption spectrum, extinction coefficient, energy-loss spectrum and refractive index are also discussed.

• Periodical: Advanced Materials Research (Volumes 846-847)
• Pages: 1919-1922
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.846-847.1919
• Online since: November 2013
• Authors: Hong Liang Pan*, Teng Li, Shi Liang Yang, Yi Ming Liu
• Keywords: Electronic Structure, Optical Property, SrTi_0.5Zr_0.5O₃

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