Self-interaction corrected LDA + U investigations of BiFeO3 properties: Plane-wave pseudopotential method
The structural, electronic, elastic, and optical properties of BiFeO3 were investigated using the firstprinciples calculation based on the local density approximation plusU(LDA + U) method in the frame of plane-wave pseudopotential density functional theory. The application of self-interaction corre...
| Published in: | Materials Research Express |
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| Main Author: | |
| Format: | Article |
| Language: | English |
| Published: |
Institute of Physics Publishing
2015
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| Online Access: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-84953439754&doi=10.1088%2f2053-1591%2f2%2f11%2f116101&partnerID=40&md5=58c80f9910297eca5a64b795c6b626e8 |