First-principles prediction of high oxygen-ion conductivity in trilanthanide gallates Ln3GaO6
We systematically investigated trilanthanide gallates (Ln3GaO6) with the space group Cmc21 as oxygen-ion conductors using first-principles calculations. Six Ln3GaO6 (Ln = Nd, Gd, Tb, Ho, Dy, or Er) are both energetically and dynamically stable among 15 Ln3GaO6 compounds, which is consistent with pre...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Taylor & Francis Group
2019-12-01
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| Series: | Science and Technology of Advanced Materials |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.1080/14686996.2019.1578183 |