The DOI matches its Crossref record.
Visualizing the Role of Bi 6s “Lone Pairs” in the Off-Center Distortion in Ferromagnetic BiMnO3
Abstract
Results of first-principles electronic structure calculations on the low-temperature monoclinic phase of the ferromagnetic perovskite BiMnO 3 [Atou et al. J. Solid State Chem . 1999, 145, 639] are presented. In agreement with experiments, the calculations obtain an insulating ferromagnetic ground state for this material. The role of Bi 6s “lone pairs” in stabilizing the highly distorted perovskite structure is examined using real-space visualization of the electronic structure. Comparisons are drawn with the electronic structures of hypothetical cubic BiMnO 3 and with the electronic structure of the prototypical perovskite manganite, LaMnO 3 . The exploitation of s electron lone pairs in the design of new ferroic materials is suggested.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cited by
The single-phase multiferroic oxides: from bulk to thin film
Prellier, W., Singh, M. P., & Murugavel, P. (2005) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/17/30/r01 · Cited by 668
Progress in perovskite nickelate research
Catalan, G. (2008) · Phase Transitions · doi:10.1080/01411590801992463 · Cited by 451
Kimura, T. (2012) · Annual Review of Condensed Matter Physics · doi:10.1146/annurev-conmatphys-020911-125101 · Cited by 380
Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6(A = Li, Na, K, Rb, Cs, Tl)
Chang, H.-Y., Kim, S.-H., Ok, K. M., & Halasyamani, P. S. (2009) · Journal of the American Chemical Society · doi:10.1021/ja9015099 · Cited by 306
Chandel, S., Thakur, P., Tomar, M., Gupta, V., & Thakur, A. (2017) · Ceramics International · doi:10.1016/j.ceramint.2017.07.088 · Cited by 60
Metadata
- Authors
- Seshadri, R., & Hill, N. A.
- Venue
- Chemistry of Materials
- Publisher
- American Chemical Society (ACS)
- Published
- 2001-08-11
- Volume
- 13
- Issue
- 9
- Pages
- 2892-2899
- ISSN
- 0897-4756 (ISSN-L)
- 1520-5002
- OpenAlex
- W1994255850
- Cited by
- 811
- References
- 0
- FWCI
- 6.40
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
