Journal Article

PUBDB-2025-04717

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Dual-Site Mg$^{2+}$ Substitution in LaFeO$_3$ ceramics: Defect Engineering and Multifunctional Property Modulation

Nandy, S. (Corresponding author)Extern*DESY* ; Ghosh, S.Extern* ; Samanta, V. ; Mya, T. ; Hwa, C. K. ; Chandran, S. (Corresponding author)Extern*

2026
AIP Publ. Melville, NY

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Please use a persistent id in citations: doi:10.1063/5.0321220  doi:10.3204/PUBDB-2025-04717

Abstract: Pristine LaFeO$_3$ and Mg$^{2+}$-incorporated La-deficient LaFeO$_3$ (La$_{1-x}$FeO$_{3−δ}$:xMg, x = 0.2, 0.4) and Fe-deficient LaFeO$_3$ (LaFe$_{1-x}$O$_{3−δ}$:xMg, x = 0.2, 0.4) ceramics were synthesized from nanoparticles prepared via a low-temperature citrate sol-gel process. X-ray diffraction confirms the formation of a single-phase in pristine LaFeO$_3$, while minor secondary phases are observed in Mg$^{2+}$-incorporated, La- and Fe-deficient compositions. Raman spectroscopy reveals distinct vibrational modes in Mg$^{2+}$-incorporated La-deficient LaFeO$_3$, whereas Fe-deficient variants exhibit featureless spectra. Diffuse reflection spectral measurements show a direct bandgap of 2.15 eV and an indirect bandgap of 1.80 eV for pristine LaFeO$_3$, which narrows to 2.10 and 2.05 eV (direct) and 1.60 and 1.38 eV (indirect) upon Mg$^{2+}$-incorporation in La-deficient LaFeO3. Conversely, Fe-deficient, Mg$^{2+}$-incorporated LaFeO$_3$ exhibits broad absorption without a defined band-edge, suggesting the presence of defect states or mid-gap levels. Magnetic measurements at room temperature indicate a marked enhancement in magnetization (7.6 emu/g) in La-deficient compositions, indicative of emergent ferromagnetism, while Fe-deficient samples show weak ferromagnetism (1.2 emu/g), comparable to pristine LaFeO$_3$ (0.7 emu/g). O K-edge x-ray absorption spectroscopy reveals changes in Fe(3d)–O(2p), La(5d)–O(2p), and Fe(4sp)–O(2p) hybridizations. XANES analysis at the La L$_3$ and Fe K edges confirms the retention of La$^{3+}$ and Fe$^{3+}$ oxidation states. Local structural studies indicate site-specific Mg$^{2+}$ substitution and the generation of oxygen vacancies, both of which critically influence the optical and magnetic properties. These results highlight the importance of defect engineering and local structural modulation in tuning the multifunctional properties of LaFeO$_3$-based perovskites.

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Contributing Institute(s):

1. DOOR-User (DOOR ; HAS-User)
2. PETRA-S (FS-PETRA-S)

Research Program(s):

1. 632 - Materials – Quantum, Complex and Functional Materials (POF4-632) (POF4-632)
2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)

Experiment(s):

1. PETRA Beamline P64 (PETRA III)

Appears in the scientific report 2026

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