X-ray-absorption spectroscopy at the Fe L 2 , 3 threshold in iron oxides

作者: N. Thromat , M. Gautier-Soyer , J. P. Crocombette , M. Pollak , F. Jollet

DOI: 10.1103/PHYSREVB.52.3143

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摘要: The influence of local order around the iron site on Fe 2p x-ray-absorption spectra is studied for \ensuremath{\alpha}-${\mathrm{Fe}}_{2}$${\mathrm{O}}_{3}$, FeO, ${\mathrm{Fe}}_{3}$${\mathrm{O}}_{4}$, and \ensuremath{\gamma}-${\mathrm{Fe}}_{2}$${\mathrm{O}}_{3}$. experimental are accounted thanks to a configuration-interaction calculation ${\mathit{L}}_{2,3}$ edge shapes, explicitly taking into account exact first-neighbor surrounding cation acting through crystal-field splitting hopping terms. peak's splittings intensities well reproduced: contributions various symmetries valencies discriminated. nature insulating gap each compound deduced.

参考文章(21)
James H. Paterson, Ondrej L. Krivanek, Elnes of 3d transition-metal oxides. II, Variations with oxidation state and crystal structure Ultramicroscopy. ,vol. 32, pp. 319- 325 ,(1990) , 10.1016/0304-3991(90)90078-Z
Richard L. Kurtz, Victor E. Henrich, Surface electronic structure and chemisorption on corundum transition-metal oxides:α-Fe2O3 Physical Review B. ,vol. 36, pp. 3413- 3421 ,(1983) , 10.1103/PHYSREVB.36.3413
M. Hendewerk, M. Salmeron, G.A. Somorjai, Water adsorption on the (001) plane of Fe2O3: An XPS, UPS, Auger, and TPD study Surface Science. ,vol. 172, pp. 544- 556 ,(1986) , 10.1016/0039-6028(86)90500-5
C. Greaves, A powder neutron diffraction investigation of vacancy ordering and covalence in γ-Fe2O3 Journal of Solid State Chemistry. ,vol. 49, pp. 325- 333 ,(1983) , 10.1016/S0022-4596(83)80010-3
J.Q. Broughton, P.S. Bagus, A study of madelung potential effects in the ESCA spectra of the metal oxides Journal of Electron Spectroscopy and Related Phenomena. ,vol. 20, pp. 261- 280 ,(1980) , 10.1016/0368-2048(80)85023-7
J P Crocombette, F Jollet, Site selectivity in ZrO2-doped Y2O3 evidenced by x-ray absorption spectra calculations Journal of Physics: Condensed Matter. ,vol. 6, pp. 8341- 8348 ,(1994) , 10.1088/0953-8984/6/40/025
G van der Laan, I W Kirkman, The 2p absorption spectra of 3d transition metal compounds in tetrahedral and octahedral symmetry Journal of Physics: Condensed Matter. ,vol. 4, pp. 4189- 4204 ,(1992) , 10.1088/0953-8984/4/16/019
Konstantin P Belov, Electronic processes in magnetite (or, "Enigmas of magnetite") Physics-Uspekhi. ,vol. 36, pp. 380- 391 ,(1993) , 10.1070/PU1993V036N05ABEH002160
J. Taftø, O. L. Krivanek, Site-Specific Valence Determination by Electron Energy-Loss Spectroscopy Physical Review Letters. ,vol. 48, pp. 560- 563 ,(1982) , 10.1103/PHYSREVLETT.48.560
F. M. F. de Groot, J. C. Fuggle, B. T. Thole, G. A. Sawatzky, 2P X-RAY ABSORPTION OF 3D TRANSITION-METAL COMPOUNDS - AN ATOMIC MULTIPLET DESCRIPTION INCLUDING THE CRYSTAL-FIELD Physical Review B. ,vol. 42, pp. 5459- 5468 ,(1990) , 10.1103/PHYSREVB.42.5459