Effects of state filling and localization on chemical expansion in praseodymium-oxide perovskites
Abstract
Computational study of Pr-based perovskites supported by experiments uncovering insights and design principles for chemical expansion. Hole location on oxygen is highlighted as a route to achieving near-zero chemical expansion.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2023
- Source ID
- 10.1039/d2ta06756k
Entities
People
- Adrian Xiao Bin Yong
- Elif Ertekin
- Lawrence O. Anderson
- Nicola H Perry
Organizations
- Engineer Research and Development Center
- National Science Foundation
- University of Illinois Urbana–Champaign