Electronic structure and energy gaps evaluation of perovskite manganite single crystals using XES and XAS spectroscopy
Fourth Author's Department
Physics Department
Find in your Library
https://doi.org/10.1016/j.elspec.2021.147084
Document Type
Research Article
Publication Title
Journal of Electron Spectroscopy and Related Phenomena
Publication Date
7-1-2021
doi
10.1016/j.elspec.2021.147084
Abstract
In this work, the X-ray absorption spectroscopy (XAS), and emission spectra spectroscopy (XES) carried out in synchrotron radiation, were employed to evaluate the electronic structure, and bandgap energy of perovskite manganese: LaSr2Mn2O7, La1.2(Ba, Ca)1.8Mn2O7 and La0.95Ba0.05MnO3 single crystals. Atomic multiple calculations also have been utilized to assess the Jahn-Teller distortion and extracting quantitative details on the ligand metal charge transfer (LMCT). We find that Mn ions possess mixed oxidation states Mn3+/Mn4+ as dominated ground configurations with a small fraction of Mn2+. The trivalent Mn3+ (Mn2O3) exist with high spin (HS) 2p3d4 (e g3 t2 g1). The band edge positions and bandgap energy are remarkably influenced by Alkaline (Ba/Ca) dopant ions as well as by temperature, where, the low temperature causes the bandgap to be significantly narrowing and that has been stated and discussed.
Recommended Citation
APA Citation
Abu-Samak, M.
Kumar, S.
Aljawfi, R.
&
Swillam, M.
(2021). Electronic structure and energy gaps evaluation of perovskite manganite single crystals using XES and XAS spectroscopy. Journal of Electron Spectroscopy and Related Phenomena, 250,
10.1016/j.elspec.2021.147084
https://fount.aucegypt.edu/faculty_journal_articles/2398
MLA Citation
Abu-Samak, Mahmoud, et al.
"Electronic structure and energy gaps evaluation of perovskite manganite single crystals using XES and XAS spectroscopy." Journal of Electron Spectroscopy and Related Phenomena, vol. 250, 2021,
https://fount.aucegypt.edu/faculty_journal_articles/2398