Computational investigation of B -site donor doping effect on fatigue behavior of lead zirconate titanate

Please use this identifier to cite or link to this item: https://doi.org/10.1063/1.2362993

Title:	Computational investigation of B -site donor doping effect on fatigue behavior of lead zirconate titanate
Authors:	Zhang, Z. Lu, L. Shu, C. Wu, P.
Issue Date:	2006
Citation:	Zhang, Z., Lu, L., Shu, C., Wu, P. (2006). Computational investigation of B -site donor doping effect on fatigue behavior of lead zirconate titanate. Applied Physics Letters 89 (15) : -. ScholarBank@NUS Repository. https://doi.org/10.1063/1.2362993
Abstract:	The effect of the B -site donor on the fatigue behavior of lead zirconate titanate (PZT) was studied. Seven elements were considered. The formation energies of oxygen vacancies and band structures of these doped systems were investigated. It was found that the Nb, Ta, and W doped PZT systems have the highest formation energy of oxygen vacancies as well as reduced occupations of Ti 3d states by the electrons released from oxygen vacancies. Therefore, the systems respectively doped with Nb, Ta, and W can effectively improve the fatigue property of PZT. © 2006 American Institute of Physics.
Source Title:	Applied Physics Letters
URI:	http://scholarbank.nus.edu.sg/handle/10635/59762
ISSN:	00036951
DOI:	10.1063/1.2362993
Appears in Collections:	Staff Publications

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