Oxygen Disorder, a Way to Accommodate Large Epitaxial Strains in Oxides

Autor(en)

Yu Yang Zhang, Rohan Mishra, Timothy J. Pennycook, Albina Y. Borisevich, Stephen J. Pennycook, Sokrates T. Pantelides

Abstrakt

Strain accommodation in oxide thin films: 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.

Organisation(en)

Physik Nanostrukturierter Materialien

Externe Organisation(en)

Vanderbilt University, Oak Ridge National Laboratory , National University of Singapore (NUS)

Journal

Advanced Materials Interfaces

Band

2

Anzahl der Seiten

5

ISSN

2196-7350

DOI

https://doi.org/10.1002/admi.201500344

Publikationsdatum

12-2015

Peer-reviewed

Ja

ÖFOS 2012

103018 Materialphysik

Schlagwörter

ASJC Scopus Sachgebiete

Mechanics of Materials, Mechanical Engineering

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/589bf64c-fd38-4d1c-b86d-379a32a1e55a