Reversible formation-dissociation of polaron in rutile driven by electric field
Density functional theory with Hubbard U correction is employed to study the polaron in rutile under external electric fields. It is found that electric-field-induced displacements of the ions enhance the sampling of the polaron configurations, which is helpful to find the most stable structure amon...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Taylor & Francis Group
2018-03-01
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| Series: | Materials Research Letters |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.1080/21663831.2018.1426061 |