Ab initio modelling of the effects of varying Zr (Ti) concentrations on the atomic and electronic properties of stoichiometric PZT solid solutions

标题
Ab initio modelling of the effects of varying Zr (Ti) concentrations on the atomic and electronic properties of stoichiometric PZT solid solutions
作者
关键词
Cubic Pb(Zr, x, Ti, 1−x, )O, 3, solid solution, Hybrid B3PW calculations, Change of PZT atomic and electronic structure
出版物
Computational and Theoretical Chemistry
Volume 1104, Issue -, Pages 56-60
出版商
Elsevier BV
发表日期
2017-02-08
DOI
10.1016/j.comptc.2017.02.006

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