In ZrO2 crystals, the highest dielectric constant (k) is ascribed to the tetragonal phase. By the use of density functional theory and synchrotron radiation x-ray diffraction, we show how the a and c lattice parameters of the tetragonal phase influence the resulting k. Highest k values are obtained at increasing both a and c, while k is reduced for compressive strained cells. The determination of a and c on La-doped ZrO2 and ZrO2 thin films deposited by atomic layer deposition on Ge (001) allowed us to elucidate the influence of La doping and Ge diffusion on the k value.
American Institute of Physics
5 Dec 2011
Volume: 99 Issue: 23 Pages: 232907
Applied Physics Letters