Electronic Origin of Defect States in Fe-Doped LiNbO3 Ferroelectrics
We investigate the role of Fe in the electronic structure of ferroelectric LiNbO3 by density-functional theory calculations. We show that Fe2+ on the Li site (Fe2+Li) features a displacement opposite to the direction of spontaneous polarization and acts as a trigger for the bulk photovoltaic (PV) ef...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Hindawi Limited
2016-01-01
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| Series: | Advances in Condensed Matter Physics |
| Online Access: | http://dx.doi.org/10.1155/2016/2943173 |