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Proximity to a Ferroelectric Instability in Ba1-xCaxZrO3...

by Hyun-sik Kim, Hans M Christen, Michael D Biegalski, David J Singh
Publication Type
Journal
Journal Name
Journal of Applied Physics
Publication Date
Page Number
054105
Volume
108
Issue
5

The Ba1-xCaxZrO3 solid solution was investigated by structural and dielectric measurements on pulsed laser deposition grown films and by first principles calculations. Samples were synthesized on SrRuO3 coated SrTiO3 substrates for x between 0 and 0.44. The samples were found to be under mild compressive strain at least for low x. Dielectric measurements showed no evidence for ferroelectricity. First principles supercell calculations were performed as a function of lattice parameter. These calculations show ferroelectricity at expanded volume and a rapid suppression depending on cation ordering as the volume is reduced. Prospects for realizing ferroelectricity in BaZrO3 based perovskites are discussed in light of these results.