Direct Visualization of Localized Vibrations at Complex Grain Boundaries
Abstract
Grain boundaries (GBs) are a prolific microstructural feature that dominates the functionality of a wide class of materials. The functionality at a GB results from the unique atomic arrangements, different from those in the grain, that have driven extensive experimental and theoretical studies correlating atomic‐scale GB structures to macroscopic electronic, infrared optical, and thermal properties. In this work, a SrTiO3 GB is examined using atomic‐resolution aberration‐corrected scanning transmission electron microscopy and ultrahigh‐energy‐resolution monochromated electron energy‐loss spectroscopy, in conjunction with density functional theory. This combination enables the correlation of the GB structure, nonstoichiometry, and chemical bonding with a redistribution of vibrational states within the GB dislocation cores. The new experimental access to localized GB vibrations provides a direct route to quantifying the impact of individual boundaries on macroscopic properties.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Feb 10, 2023
- Source ID
- 10.1002/adma.202208920
Entities
People
- Andrew O'Hara
- De-Liang Bao
- Eric R. Hoglund
- James M. Howe
- Jordan A Hachtel
- Md Shafkat Bin Hoque
- Patrick E Hopkins
- Sara Makarem
- Sokrates T. Pantelides
- Thomas W. Pfeifer
Organizations
- Army Research Office
- Oak Ridge National Laboratory
- Office of Basic Energy Sciences
- Office of Science
- United States Department of Energy
- University of Virginia
- Vanderbilt University