Ferroelectric 2D antimony oxides with wide bandgaps
Abstract
Two 2D polymorphs of antimony dioxide, γ-Sb2O4 and δ-Sb2O4, are predicted using the evolutionary algorithm and first-principles calculations. Out-of-plane ferroelectricity is found in γ-Sb2O4, while in-plane ferroelectricity is found in δ-Sb2O4.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2022
- Source ID
- 10.1039/d2tc03343g
Entities
People
- Kai Ni
- Romakanta Bhattarai
- Xiao Shen
Organizations
- National Science Foundation
- Oak Ridge Associated Universities
- Office of Basic Energy Sciences
- Rochester Institute of Technology
- University of Memphis