Oxygen diffusion in ultrafine grained monoclinic ZrO2

Abstract

Proton conduction related electrical dipole and space charge polarization in hydroxyapatite J. Appl. Phys. 112, 074901 (2012) Phase-field modeling of stress generation in electrode particles of lithium ion batteries Appl. Phys. Lett. 101, 133902 (2012) Simultaneous enhancement of electronic and Li+ ion conductivity in LiFePO4 Appl. Phys. Lett. 101, 033901 (2012) Sodium ionic conduction in complex hydrides with [BH4]− and [NH2]− anions Appl. Phys. Lett. 100, 203904 (2012) Defect chemistry of Ti-doped antiferroelectric Bi0.85Nd0.15FeO3The diffusion of oxygen in ultrafine grained, undoped monoclinic ZrO 2 was studied using 18 O as tracer and secondary ion mass spectroscopy profiling. Samples with a relative mass density of 97%-99% and average crystallite sizes of 80 or 300 nm were prepared from Zr by sputtering, inert-gas-condensation, oxidation, in situ consolidation of nanocrystalline (n-)ZrO 2 powder and subsequent pressureless sintering at 950 or 1050°C in vacuum. Volume and interface diffusivities were directly determined from the 18 O diffusion profiles in n-ZrO 2 in the type B and type A regime of interface diffusion. The diffusion of 18 O in interfaces in undoped n-ZrO 2 is 10 3 -10 4 times faster than in the bulk of the crystallites throughout the temperature range of 450 to 950°C studied. These diffusivities are independent of the crystallite size in the range of 70-300 nm. The activation energies Q V ϭ2.29 eV and Q B ϭ1.95 eV for the volume (Q V ) and interface diffusion (Q B ) are considerably higher than the diffusion activation energies found in the fast ion conductors Ca-or Y-stabilized ZrO 2 . Based on the present data on oxygen diffusion in ZrO 2 , the cation and anion diffusivities of other binary oxides are discussed.

Impurity Centers in Oxides Investigated by γ-γ Perturbed Angular Correlation Spectroscopy and <i>Ab Initio</i> Calculations

“…The formation of structural defects upon cooling would, therefore, require the diffusion of cations and/or oxygen ions. Using the diffusion parameters of oxygen in nanocrystalline zirconia [128], Forker et al estimate oxygen jump rates [129] of the order of 10 -4 and 10 -1 s -1 for the core and the interfacial region, respectively, of nanocrystalline ZrO 2 at T~600 K, where the defect component starts to appear. The cation jump rates are even smaller.…”

Thermodynamic considerations in the stability of binary oxides for alternative gate dielectrics in complementary metal–oxide–semiconductors

“…For example, the bulk diffusion length (~D v t ) of oxygen in monoclinic, nanocrystalline zirconia is much greater than the gate dielectric thickness at typical annealing times [23]. Grain boundary diffusion coefficients in nanocrystalline zirconia are orders of magnitude larger than bulk coefficients [23].…”

Oxygen self-diffusion mechanisms in monoclinic ZrO2 revealed and quantified by density functional theory, random walk analysis, and kinetic Monte Carlo calculations

“…Oxygen self-diffusion in zirconium oxide has long been a topic of interest [1][2][3][4] in studying the oxidation kinetics of zirconium alloys, which are used as cladding of nuclear fuel in light water cooled nuclear reactors [5]. Zirconium oxide is also widely used in heterogeneous catalysis [6,7], and more recently it was examined for high-k dielectrics in metal-oxide-semiconductor field-effect transistor (MOSFET) devices [8,9] as well as resistive switching devices [10,11].…”