| Autor: |
J Jilili, F Cossu, U Schwingenschlögl |
| Jazyk: |
angličtina |
| Rok vydání: |
2016 |
| Předmět: |
|
| Zdroj: |
New Journal of Physics, Vol 18, Iss 8, p 083027 (2016) |
| Druh dokumentu: |
article |
| ISSN: |
1367-2630 |
| DOI: |
10.1088/1367-2630/18/8/083027 |
| Popis: |
We use first principles calculations to study ideal and O deficient BiMnO _3 /SrTiO _3 superlattices. The ideal superlattice is characterized by parallel alignment of the Mn and Ti magnetic moments at the n -interface, while an antiparallel alignment has been reported experimentally. O defects at the n -interface are found to favor the MnO _2 and BiO layers over the TiO _2 layer. The band gap of the superlattice is strongly reduced when the MnO _2 layer is O deficient and ${d}_{3{z}^{2}-{r}^{2}}$ states are observed at the Fermi energy when the BiO layer is O deficient. Only in the latter case the Mn and Ti magnetic moments at the n -interface align antiparallel. Therefore, O defects in the BiO layer turn out to be essential for reproducing the experimental interface magnetism and for understanding its mechanism. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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