Journal Article

FZJ-2020-02722

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Charge effects in donor‐doped perovskite ferroelectrics

Liu, J. ; Liu, L. ; Zhang, J. ; Jin, L. ; Wang, D. (Corresponding author) ; Wei, J. ; Ye, Z. ; Jia, C.FZJ*

2020
Soc. Westerville, Ohio

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Please use a persistent id in citations: http://hdl.handle.net/2128/25446  doi:10.1111/jace.17270

Abstract: Doping 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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Contributing Institute(s):

1. Physik Nanoskaliger Systeme (ER-C-1)

Research Program(s):

1. 143 - Controlling Configuration-Based Phenomena (POF3-143) (POF3-143)

Appears in the scientific report 2020

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Database coverage:
; ; Clarivate Analytics Master Journal List ; Current Contents - Engineering, Computing and Technology ; Current Contents - Physical, Chemical and Earth Sciences ; DEAL Wiley ; Ebsco Academic Search ; Essential Science Indicators ; IF < 5 ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Web of Science Core Collection

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