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Title: Boosting upconversion photoluminescence and multielectrical properties via er-doping-modulated vacancy control in ba0.85Ca0.15Ti0.9Zr0.1O3
Authors: Liu, CW
Wang, QL
Wu, X
Sa, BS
Sun, HL 
Luo, LH
Lin, C
Zheng, XH
Lin, TF
Sun, ZM
Issue Date: 2019
Publisher: American Chemical Society
Source: ACS omega, June 2019, v. 4, no. 6, p. 11004-11013 How to cite?
Journal: ACS omega 
Abstract: The lead-free 0.5(Ba0.7Ca0.3)TiO -0.5Ba(Ti0.8Zr0.2)O-3 (BCTZ) ceramics with Er doping have shown good upconversion photoluminescence (PL) and desirable optical temperature sensing properties. To bridge a relationship between the structure/intrinsic defects and properties of rare-earth-doped ferroelectrics, we designed and fabricated a series of BCTZ ceramics doped with 1 mol % Er3+ by combining the first-principles calculations and experimental measurements. Theoretically, we discovered that Er can occupy both A sites (i.e., replacing Ba or Ca) and B sites (i.e., replacing Ti or Zr) in the BCTZ lattice and highlighted that the Erdoping-induced vacancy concentration decreases for both the oxygen vacancies (V-o) and cation vacancies (VD. Experimentally, the enhanced PL performance and the dielectric, ferroelectric, and piezoelectric properties of the Er-doped BCTZ ceramics have been observed. Finally, the physical origin of Er-induced property enhancement in BCTZ has been elaborated according to the charge density and chemical bonding analysis. These results open up a path to investigate the effects of site substitution and vacancies on optoelectronic properties of multifunctional rare-earth-doped ferroelectrics.
ISSN: 2470-1343
DOI: 10.1021/acsomega.9b01391
Rights: © 2019 American Chemical Society
This is an open access article published under an ACS AuthorChoice License (, which permitscopying and redistribution of the article or any adaptations for non-commercial purposes.
The following publication Liu, C. W., Wang, Q. L., Wu, X., Sa, B. S., Sun, H. L., Luo, L. H., . . . Sun, Z. M. (2019). Boosting upconversion photoluminescence and multielectrical properties via er-doping-modulated vacancy control in ba0.85Ca0.15Ti0.9Zr0.1O3. ACS Omega, 4(6), 11004-11013 is available at
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