Understanding physical chemistry of BaxSr1−xTiO3 using ReaxFF molecular dynamics simulations
Abstract
Barium strontium titanate BaxSr1−xTiO3 (BSTO) has been widely used in nano devices due to its unique ferroelectric properties and can be epitaxially grown on a SrTiO3 (STO) support, with a reduced lattice and thermal mismatch.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2021
- Source ID
- 10.1039/d1cp03353k
Entities
People
- Adri. C. T. Van Duin
- Dooman Akbarian
- Nadire Nayır
Organizations
- Air Force Office of Scientific Research
- Air Force Research Laboratory
- Karamanoğlu Mehmetbey University
- National Science Foundation
- Pennsylvania State University