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Anti-polarity in ideal BiMnO3.
| Content Provider | Semantic Scholar |
|---|---|
| Author | Baettig, Pio Seshadri, Ram Spaldin, Nicola A. |
| Copyright Year | 2007 |
| Abstract | The structure and properties of the possible multiferroic, BiMnO3, are calculated using the LDA+U method of density functional theory. The symmetry is found to be centrosymmetric C2/c with zero ferroelectric polarization. The stereochemically active Bi lone pairs form local dipole moments which order in an anti-polar arrangement. |
| File Format | PDF HTM / HTML |
| DOI | 10.1021/ja073415u |
| Alternate Webpage(s) | http://doc.rero.ch/record/9552/files/baettig_api.pdf |
| PubMed reference number | 17658812 |
| Alternate Webpage(s) | https://doi.org/10.1021/ja073415u |
| Journal | Medline |
| Volume Number | 129 |
| Issue Number | 32 |
| Journal | Journal of the American Chemical Society |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |