17. Oxygen disorder to accommodate large strains in oxides

Description

Oxygen disorder, a way to accommodate large epitaxial strains in oxides.
Y. Y. Zhang, R. Mishra, T. J. Pennycook, A. Y. Borisevich, S. J. Pennycook, S. T. Pantelides, Adv. Mater. Interfaces (2015).

Density-functional calculations (total-energy comparisons) and checks for negative-frequency phonon modes are employed as a stability indicator to show that, in rutile- and fluorite-structure oxides, e.g., zirconia strained by a strontium titanate substrate, oxygen-sublattice disorder can be the energetically preferred way to accommodate strain.

Details

Tags: 2015, R. Mishra