Comparative Ab Initio Calculations of ReO<sub>3</sub>, SrZrO<sub>3</sub>, BaZrO<sub>3</sub>, PbZrO<sub>3</sub> and CaZrO<sub>3</sub> (001) Surfaces
We performed, for first time, ab initio calculations for the ReO<sub>2</sub>-terminated ReO<sub>3</sub> (001) surface and analyzed systematic trends in the ReO<sub>3</sub>, SrZrO<sub>3</sub>, BaZrO<sub>3</sub>, PbZrO<sub>3</sub>...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2020-08-01
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| Series: | Crystals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4352/10/9/745 |