| XPS (1.8 keV) and HAXPES (5.9 keV), survey spectra | Characteristic peaks corresponding to La, O and the respective transition metals Cr, Fe and Co were observed. Sr and Ti features from the substrate were present in LaCrO₃ and LaFeO₃, but were not detected in LaCoO₃ |
|---|---|
| XPS (1.8 keV) and HAXPES (5.9 keV), valence band | Spectral weight near the Fermi level (0–2 eV) was attributed to transition-metal 3d states; broad structures between 2 and 9 eV were attributed mainly to oxygen 2p states |
| XPS and HAXPES, La 3d | A satellite feature was observed in all compounds at about 4 eV higher binding energy than the main 3d₅/₂ and 3d₃/₂ peaks; the satellite had comparable spectral intensity to the main line |
| XPS (1.8 keV) and HAXPES (5.9 keV), main core-level binding energies (eV), uncertainty ±0.2 eV | LaCrO₃: La 3d₅/₂ 833.2, 833.2; La 3d₃/₂ 850.1, 850.1; La 4s –, 273.3; O 1s 528.9, 528.8; Cr 2p₃/₂ 575.8, 575.9; Cr 2p₁/₂ 585.6, 585.8. LaFeO₃: La 3d₅/₂ 833.1, 833.1; La 3d₃/₂ 850.0, 850.0; La 4s –, 273.5; O 1s 528.8, 528.8; Fe 2p₃/₂ 710.3, 710.2; Fe 2p₁/₂ 724.1, 724.3. LaCoO₃: La 3d₅/₂ 833.4, 833.2; La 3d₃/₂ 850.2, 850.1; La 4s –, 272.8; O 1s 528.8, 528.9; Co 2p₃/₂ 779.6, 779.7; Co 2p₁/₂ 795.0, 794.8 |
| XPS (1.8 keV) and HAXPES (5.9 keV), La 3d energy splitting (eV) | LaCrO₃: 3d₅/₂–3d₃/₂ 16.8, 16.9; 3d₅/₂–satellite 4.2, 4.3; 3d₃/₂–satellite 4.4, 4.3. LaFeO₃: 3d₅/₂–3d₃/₂ 16.8, 16.9; 3d₅/₂–satellite 4.3, 4.4; 3d₃/₂–satellite 4.3, 4.4. LaCoO₃: 3d₅/₂–3d₃/₂ 16.9, 16.9; 3d₅/₂–satellite 4.0, 4.1; 3d₃/₂–satellite 4.1, 4.2 |
| HAXPES, transition-metal 1s and 2p₃/₂ satellite positions relative to the main peaks, expected error ±0.1 eV | LaCrO₃: S1 11.6 eV, S2 –; LaFeO₃: S1 8.3 eV, S2 16.2 eV; LaCoO₃: S1 9.9 eV, S2 – |
| XPS (1.8 keV) and HAXPES (5.9 keV), O 1s and C 1s | O 1s showed a main peak attributed to lattice oxygen (O²⁻) at 528.8 eV and higher-binding-energy features associated predominantly with surface species such as hydroxyl groups or adsorbed molecules. The C 1s position in HAXPES was 284.5 eV and fluctuated in XPS |
Masoud Lazemi, Mizuki Furo, Charlotte M. L. André, Naoki Ito, Shiyang Lu, Prajna Bhatt, Pardeep Kumar Thakur, Tien-Lin Lee, Jaap Geessinck, Emma van der Minne, Yorick A. Birkhölzer, Christoph Baeumer, Gertjan Koster, Uwe Bergmann, Anna Regoutz, Atsushi Hariki, Frank M. F. de Groot. “Soft and hard X-ray 1s and 2p photoelectron spectroscopy of La(TM)O₃ (TM = Cr, Fe, Co).” ChemRxiv (). https://doi.org/10.26434/chemrxiv.15007994/v1
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