Electronic Structure and Optical Properties of BaTi0.75Nd0.25O3

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Abstract:

The electronic-energy band structure and optical properties of BaTi0.75Nd0.25O3 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.

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Advanced Materials Research (Volumes 846-847)

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1923-1926

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November 2013

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© 2014 Trans Tech Publications Ltd. All Rights Reserved

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