4.8 Article

Achieving a high dielectric tunability in strain-engineered tetragonal K0.5Na0.5NbO3 films

Journal

NPJ COMPUTATIONAL MATERIALS
Volume 7, Issue 1, Pages -

Publisher

NATURE RESEARCH
DOI: 10.1038/s41524-021-00528-2

Keywords

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Funding

  1. National Natural Science Foundation of China (NSFC) [51772175, 52072150, 51702119]
  2. seed funding for top talents in Qilu University of Technology (Shandong Academy of Sciences)
  3. Qilu University of Technology [QLUTGJHZ2018003]
  4. Young Elite Scientists Sponsorship Program by CAST
  5. Jiangsu Province NSFC [BK20180764]
  6. Independent Innovation Foundation of Shandong University [2018JC045, 2017ZD008, 2015JC034]

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By utilizing a modified Landau-Devonshire thermodynamic potential, the dielectric tunability of tetragonal ferroelectric films was analytically solved, predicting a high tunability of 80%. This predicted performance was successfully validated through density functional theory calculations, with epitaxial films showing favorable properties in experimental measurements.
Using a modified Landau-Devonshire type thermodynamic potential, we show that dielectric tunability eta of a tetragonal ferroelectric film can be analytically solved. At a given electric field E, eta is a function of the remnant polarization (P,,) and the small-field relative dielectric permittivity (chi(F)(0)), which are commonly measured material properties. After a survey of materials, a large eta similar to 80% is predicted to be achievable in a (001)-oriented tetragonal (K-0.5,Na-0.5)NbO3 film. This strain-stabilized tetragonal phase is verified by density functional theory (DFT) calculations. (K-0.5,Na-0.5)NbO3 films based on this design were successfully prepared via a sputtering deposition process on SrRuO3-buffered (100)SrTiO3 substrates. The resulted epitaxial films showed a sizable P-0(f)(-0.21Cm(-2)) and a large chi(F)(0)(similar to 830-860), as well as a large eta close to the theoretical value. The measured dielectric tunabilities as functions of E are well described by the theoretical eta(E) curves, validating our integrated approach rooted in a theoretical understanding.

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