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Conferences > FBTA > 2014 > JF2A > JF2A.30

First-principles study of optical absorption properties of perovskite PbZrxTi1-xO3

Zhichao Ma, Zhimou Xu, Tangyou Sun, Wenning Zhao, Sisi Liu, Xinghui Wu, and Zhiqiang Yu

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Abstract

The energetic stability, the structural and the electronic properties of perovskite Pb(ZrxTi1-x)O3 are systematically investigated by the first-principles plane-wave pseudopotential and the virtual crystal approximation (VCA) based on the density. From the results, we find that when the x=0.5, the light absorption properties of PZT in non Zirconium-Rich area is the hightest.

© 2014 Optical Society of America

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