The mechanism for the enhanced mechanical and piezoelectricity properties of La2O3 doped BaTiO3 ceramic coatings prepared by plasma spray

•Using first-principles calculation methods, theoretically analyze the mechanism of its mechanical performance improvement.•BT-based coating has no piezoelectricity problem, so far there is almost no literature report.•Adding La2O3 to the BaTiO3 ceramic coating can significantly improve the piezoele...

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Bibliographic Details
Published in:Journal of alloys and compounds 2022-03, Vol.897, p.162944, Article 162944
Main Authors: Wang, Jiao, Lu, Zhen-lin, Huang, Yan-fei, Zhou, Long-long, Xing, Zhi-guo, Wang, Hai-dou, Li, Zhen
Format: Article
Language:English
Subjects:
Barium titanate
Barium titanates
Bond energy
Bonding strength
Ceramic coatings
Ceramic glazes
Ceramics
Chemical bonds
Covalent bonds
First principles
First-principles calculations
Lanthanum
Lanthanum oxide
Lanthanum oxides
Mechanical properties
Microcracks
Microhardness
Piezoelectricity
Plasma spraying
Protective coatings
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Summary:•Using first-principles calculation methods, theoretically analyze the mechanism of its mechanical performance improvement.•BT-based coating has no piezoelectricity problem, so far there is almost no literature report.•Adding La2O3 to the BaTiO3 ceramic coating can significantly improve the piezoelectric performance. Lanthanum oxide (La2O3) doped Barium titanate (BaTiO3) ceramic coatings were obtained by plasma spray. The detail discussion was conducted on the characteristic morphologies (microstructure and cross section of BaTiO3 +xwt% La2O3 composite powders) and phase. In order to further study the reasons for the improvement of its mechanical properties. Using first-principles calculation methods, theoretically analyze the mechanism of its mechanical performance improvement. The piezoelectric coefficient observed in the BaTiO3 + xwt%La2O3 coatings in this study. The reason for the increase in relative microhardness is the elimination of microcracks and pores, which increases the tendency of covalent bonds between atoms to form bonds, shortens the bond length of chemical bonds, and improves the bond energy and strength of chemical bonds. The piezoelectric performance simulation result is consistent with the experimental result. Adding La2O3 to the BaTiO3 ceramic coating can significantly improve the piezoelectric performance.
ISSN:0925-8388
1873-4669
DOI:10.1016/j.jallcom.2021.162944