2026-06-08T12:40:33Zhttps://docta.ucm.es/rest/oai/request

oai:docta.ucm.es:20.500.14352/530172024-10-01T15:26:47Zcom_20.500.14352_14col_20.500.14352_15

Electron energy loss spectroscopy in ACrO3 (A = Ca, Sr and Pb) perovskites Arévalo López, Ángel M. Castillo Martínez, Elisabet Alario Franco, Miguel Ángel 546 perovskites high pressure eels dft Química inorgánica (Química) Física del estado sólido Materiales 2303 Química Inorgánica 2211 Física del Estado Sólido 3312 Tecnología de Materiales We present the experimental ELNES spectra of the Cr-L2,3 and O-K edges in three high pressure synthesized perovskites, ACrO3 (A = Ca, Sr and Pb). A comparison of the experimental spectra against the theoretical calculations shows the influence of the A cation in the features of the spectrum. The Cr-L2,3 multiplet structure of these perovskites shows similar integrated intensity ratio (IL3/IL2) between them and with the CrO2, implying that all of them are indeed composed by Cr4+. But the O-K pre-edge observed in CrO2, typical of its d3L character (L-ligand hole), is not present in these perovskites. The effect of the A cation manifests itself in the O-K edge. The different features in the peak edges are caused by the change in the interaction between oxygen and the A cation from being via p orbitals (with Pb) to being via d orbitals (with Ca, Sr). The experimental spectra of the samples are reproduced well by the presented DFT calculations. CONACYT México Depto. de Química Inorgánica Fac. de Ciencias Químicas TRUE pub 2023-06-20T13:02:58Z 2023-06-20T13:02:58Z 2008 journal article https://hdl.handle.net/20.500.14352/53017 0953-8984 10.1088/0953-8984/20/50/505207 spa MAT2004-01641 MAT2007- 64006 MATERYENER PRICYT S-0505/PPQ-0093 (2006) open access application/pdf Institute of Physics