First principle DFT+U study on the structural, dynamical, and electronic properties of multiferroic BiFe0₃ / Muhamad Zafrol Jusoh
The structural and electronic properties of BiFe0₃ (BFO) were investigated employing the first principles within LSDA.+U method. In this work the orthorhombic perovskite structure is used. The value correlation U is varied at OeV, 3eV and 6eV which found that 6eV calculated band gap is more closed t...
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| Format: | Student Project |
| Language: | en |
| Published: |
2013
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| Online Access: | https://ir.uitm.edu.my/id/eprint/46455/1/46455.pdf https://ir.uitm.edu.my/id/eprint/46455/ |
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