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000878253 1001_ $$0P:(DE-HGF)0$$aLiu, Jia$$b0
000878253 245__ $$aCharge effects in donor‐doped perovskite ferroelectrics
000878253 260__ $$aWesterville, Ohio$$bSoc.$$c2020
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000878253 520__ $$aDoping is a widely used method to tune the physical properties of ferroelectric perovskites. Since doping can induce effective charges, it is important to understand how charges affect the chemical and physical properties of the doped perovskites. Here, we propose two charge compensation models, by adding the charge‐dipole interaction to the effective Hamiltonian, which has not been done previously, and numerically investigate how lanthanum doping affects the ferroelectric phase transition temperature and the hysteresis loop in BaTiO3. The consequences of the charge compensation models are compared and discussed, revealing that the electron compensation mechanism with some Ti4+ ions changing to Ti3+ is critical to understanding the donor‐doped perovskites.
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000878253 7001_ $$00000-0002-6889-2506$$aLiu, Laijun$$b1
000878253 7001_ $$0P:(DE-HGF)0$$aZhang, Jiale$$b2
000878253 7001_ $$00000-0002-0815-4587$$aJin, Li$$b3
000878253 7001_ $$00000-0002-5121-9841$$aWang, Dawei$$b4$$eCorresponding author
000878253 7001_ $$0P:(DE-HGF)0$$aWei, Jie$$b5
000878253 7001_ $$00000-0003-2378-7304$$aYe, Zuo‐Guang$$b6
000878253 7001_ $$0P:(DE-HGF)0$$aJia, Chun‐Lin$$b7
000878253 773__ $$0PERI:(DE-600)2008170-4$$a10.1111/jace.17270$$gVol. 103, no. 9, p. 5392 - 5399$$n9$$p5392 - 5399$$tJournal of the American Ceramic Society$$v103$$x1551-2916$$y2020
000878253 8564_ $$uhttps://juser.fz-juelich.de/record/878253/files/jace.17270.pdf
000878253 8564_ $$uhttps://juser.fz-juelich.de/record/878253/files/1909.10998.pdf$$yPublished on 2020-05-25. Available in OpenAccess from 2021-05-25.
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