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- Title
Tuning the Piezoelectric Performance of K 0.5 Na 0.5 NbO 3 through Li Doping: Insights from Structural, Elastic and Electronic Analyses.
- Authors
Li, Hui; Zhou, Tianxiang; Xu, Kang; Wang, Han; Lu, Wenke; Liu, Jinyi
- Abstract
The structural, elastic, piezoelectric, and electronic properties of Li-doped K0.5Na0.5NbO3 (K0.5−xNa0.5−yLix+yNbO3, KNN-L) are calculated. The properties of KNN-L are related to the Li-doping content and the replaced K or Na atoms. The bulk modulus, the shear modulus, and Young's modulus of KNN-L are mostly higher than those of KNN, and the hardness value increases. The Poisson ratio of KNN-L is lower than that of most KNN, and the ductility is reduced. All doped structures are direct band gap semiconductors. K0.5Na0.375Li0.125NbO3 has the largest piezoelectric charge constant, d33 = 44.72 pC/N, in the respective structures, which is 1.5 fold that of K0.5Na0.5NbO3 (29.15 pC/N). The excellent piezoelectric performance of Li-doping KNN-L was analyzed from the insights of elastic and electronic properties.
- Subjects
POISSON'S ratio; ELASTIC analysis (Engineering); ELASTICITY; MODULUS of rigidity; YOUNG'S modulus; BULK modulus
- Publication
Materials (1996-1944), 2024, Vol 17, Issue 9, p2118
- ISSN
1996-1944
- Publication type
Article
- DOI
10.3390/ma17092118