Atomic and electronic structure of YFeO3 surface with oxygen vacancies
The atomic and electronic structure of YFeO3 surfaces at the formation of oxygen vacancies are investigated by the methods of quantum-mechanical calculations. The (100), (001), and (010) surfaces are considered. The dependence of the formation energy of surface oxygen vacancy on its concentration an...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Peter the Great St.Petersburg Polytechnic University
2022-10-01
|
| Series: | St. Petersburg Polytechnical University Journal: Physics and Mathematics |
| Subjects: | |
| Online Access: | https://physmath.spbstu.ru/article/2022.58.11/ |