Electronic-Structure Origin of Cation Disorder in Transition-Metal Oxides
Cation disorder is an important design criterion for technologically relevant transition-metal (TM) oxides, such as radiation-tolerant ceramics and Li-ion battery electrodes. In this Letter, we use a combination of first-principles calculations, normal mode analysis, and band-structure arguments to...
| Main Authors: | , , , , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2017
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| Online Access: | http://hdl.handle.net/1721.1/112969 https://orcid.org/0000-0002-0622-991X https://orcid.org/0000-0002-7737-1278 |