Predicting band gaps and band-edge positions of oxide perovskites using density functional theory and machine learning
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Oct 28, 2022
- Source ID
- 10.1103/physrevb.106.155156
Entities
People
- Anderson Janotti
- Bharat Medasani
- Sanguthevar Rajasekaran
- Wei Li
- Xia Xiao
- Zhiqiang Zhang
- Zigeng Wang
Organizations
- Los Alamos National Laboratory
- National Nuclear Security Administration
- National Science Foundation
- United States Department of Energy
- University of Delaware