Electron density analysis of Bi0.95Ca0.05Fe1-xNbxO3(x = 0.02, 0.04, 0.06) samples that correlate microstructural, optical and magnetic properties
Abstract This article summarizes the electron density analysis of Bi0.95Ca0.05Fe1-xNbxO3(x = 0.02, 0.04, 0.06) samples that correlate the microstructural, optical, and magnetic properties prepared using the sol–gel method. The X-ray diffraction patterns of the synthesized samples reveal that the sub...
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Springer
2025-04-01
|
| Series: | Discover Applied Sciences |
| Subjects: | |
| Online Access: | https://doi.org/10.1007/s42452-025-06794-9 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1850187352670994432 |
|---|---|
| author | A. Sutha M. Mohammed Sheik Sirajudeen R. Rajesh I. B. Shameem Banu |
| author_facet | A. Sutha M. Mohammed Sheik Sirajudeen R. Rajesh I. B. Shameem Banu |
| author_sort | A. Sutha |
| collection | DOAJ |
| description | Abstract This article summarizes the electron density analysis of Bi0.95Ca0.05Fe1-xNbxO3(x = 0.02, 0.04, 0.06) samples that correlate the microstructural, optical, and magnetic properties prepared using the sol–gel method. The X-ray diffraction patterns of the synthesized samples reveal that the subtle peaks synchronize primarily with the R3c phase in these samples. The electron density and bonding characteristics of polycrystalline Bi0.95Ca0.05Fe1-xNbxO3(x = 0.02, 0.04, 0.06) samples were analysed using the Maximum Entropy Method. The two-dimensional contour map reveals that the covalent bonding distance between Bi/Ca-O and the ionic bonding distance between Fe/Nb–O converge well in the Bi0.95Ca0.05Fe0.96Nb0.04O3 sample and correlate with optical and magnetic properties. The bandgap energies of Bi0.95Ca0.05Fe1-xNbxO3(x = 0.02, 0.04, 0.06) are observed to be 1.78 eV, 1.97 eV and 1.72 eV respectively. The surface roughness shows an increasing trend in transmission spectra. As a result, the optical density and hence the refractive index reduce in all the samples. The maximum magnetization of Bi0.95Ca0.05Fe0.96Nb0.04O3 is considerably enhanced compared to other samples. |
| format | Article |
| id | doaj-art-8f2da4aa6aec43929fe71f409dfcdee5 |
| institution | OA Journals |
| issn | 3004-9261 |
| language | English |
| publishDate | 2025-04-01 |
| publisher | Springer |
| record_format | Article |
| series | Discover Applied Sciences |
| spelling | doaj-art-8f2da4aa6aec43929fe71f409dfcdee52025-08-20T02:16:07ZengSpringerDiscover Applied Sciences3004-92612025-04-017411610.1007/s42452-025-06794-9Electron density analysis of Bi0.95Ca0.05Fe1-xNbxO3(x = 0.02, 0.04, 0.06) samples that correlate microstructural, optical and magnetic propertiesA. Sutha0M. Mohammed Sheik Sirajudeen1R. Rajesh2I. B. Shameem Banu3Department of Physics, Panimalar Engineering CollegeDepartment of Physics, B.S. Abdur Rahman Crescent Institute of Science & TechnologyDepartment of Physics, Velammal College of Engineering & TechnologyDepartment of Physics, B.S. Abdur Rahman Crescent Institute of Science & TechnologyAbstract This article summarizes the electron density analysis of Bi0.95Ca0.05Fe1-xNbxO3(x = 0.02, 0.04, 0.06) samples that correlate the microstructural, optical, and magnetic properties prepared using the sol–gel method. The X-ray diffraction patterns of the synthesized samples reveal that the subtle peaks synchronize primarily with the R3c phase in these samples. The electron density and bonding characteristics of polycrystalline Bi0.95Ca0.05Fe1-xNbxO3(x = 0.02, 0.04, 0.06) samples were analysed using the Maximum Entropy Method. The two-dimensional contour map reveals that the covalent bonding distance between Bi/Ca-O and the ionic bonding distance between Fe/Nb–O converge well in the Bi0.95Ca0.05Fe0.96Nb0.04O3 sample and correlate with optical and magnetic properties. The bandgap energies of Bi0.95Ca0.05Fe1-xNbxO3(x = 0.02, 0.04, 0.06) are observed to be 1.78 eV, 1.97 eV and 1.72 eV respectively. The surface roughness shows an increasing trend in transmission spectra. As a result, the optical density and hence the refractive index reduce in all the samples. The maximum magnetization of Bi0.95Ca0.05Fe0.96Nb0.04O3 is considerably enhanced compared to other samples.https://doi.org/10.1007/s42452-025-06794-9Rietveld RefinementElectron densityUV–VisibleAntiferromagnetism |
| spellingShingle | A. Sutha M. Mohammed Sheik Sirajudeen R. Rajesh I. B. Shameem Banu Electron density analysis of Bi0.95Ca0.05Fe1-xNbxO3(x = 0.02, 0.04, 0.06) samples that correlate microstructural, optical and magnetic properties Discover Applied Sciences Rietveld Refinement Electron density UV–Visible Antiferromagnetism |
| title | Electron density analysis of Bi0.95Ca0.05Fe1-xNbxO3(x = 0.02, 0.04, 0.06) samples that correlate microstructural, optical and magnetic properties |
| title_full | Electron density analysis of Bi0.95Ca0.05Fe1-xNbxO3(x = 0.02, 0.04, 0.06) samples that correlate microstructural, optical and magnetic properties |
| title_fullStr | Electron density analysis of Bi0.95Ca0.05Fe1-xNbxO3(x = 0.02, 0.04, 0.06) samples that correlate microstructural, optical and magnetic properties |
| title_full_unstemmed | Electron density analysis of Bi0.95Ca0.05Fe1-xNbxO3(x = 0.02, 0.04, 0.06) samples that correlate microstructural, optical and magnetic properties |
| title_short | Electron density analysis of Bi0.95Ca0.05Fe1-xNbxO3(x = 0.02, 0.04, 0.06) samples that correlate microstructural, optical and magnetic properties |
| title_sort | electron density analysis of bi0 95ca0 05fe1 xnbxo3 x 0 02 0 04 0 06 samples that correlate microstructural optical and magnetic properties |
| topic | Rietveld Refinement Electron density UV–Visible Antiferromagnetism |
| url | https://doi.org/10.1007/s42452-025-06794-9 |
| work_keys_str_mv | AT asutha electrondensityanalysisofbi095ca005fe1xnbxo3x002004006samplesthatcorrelatemicrostructuralopticalandmagneticproperties AT mmohammedsheiksirajudeen electrondensityanalysisofbi095ca005fe1xnbxo3x002004006samplesthatcorrelatemicrostructuralopticalandmagneticproperties AT rrajesh electrondensityanalysisofbi095ca005fe1xnbxo3x002004006samplesthatcorrelatemicrostructuralopticalandmagneticproperties AT ibshameembanu electrondensityanalysisofbi095ca005fe1xnbxo3x002004006samplesthatcorrelatemicrostructuralopticalandmagneticproperties |