ELECTRONIC STRUCTURES OF FeS AND FeS2: X-RAY ABSORPTION SPECTROSCOPY AND BAND STRUCTURE CALCULATIONS

作者: M. WOMES , R.C. KARNATAK , J.M. ESTEVA , I. LEFEBVRE , G. ALLAN

DOI: 10.1016/S0022-3697(96)00068-6

关键词: Atomic physicsAbsorption (electromagnetic radiation)Interpretation (model theory)X-ray absorption spectroscopySpectral lineRelative energyTight bindingElectronic band structureAbsorption spectroscopyChemistry

摘要: … Our aim is to obtain the electronic structure of both FeS and FeS 2 by using the same … The tight binding method allows to take into account the complex atomic structure of FeS and its …

参考文章(23)
Kozo Okada, Akio Kotani, Theory of core level X-ray photoemission and photoabsorption in Ti compounds Journal of Electron Spectroscopy and Related Phenomena. ,vol. 62, pp. 131- 140 ,(1993) , 10.1016/0368-2048(93)80010-J
S. L. Finklea, L. Cathey, E. L. Amma, Investigation of the bonding mechanism in pyrite using the Mössbauer effect and X-ray crystallography Acta Crystallographica Section A. ,vol. 32, pp. 529- 537 ,(1976) , 10.1107/S0567739476001198
A. L. Roe, D. J. Schneider, R. J. Mayer, J. W. Pyrz, J. Widom, L. Que, X-ray absorption spectroscopy of iron-tyrosinate proteins Journal of the American Chemical Society. ,vol. 106, pp. 1676- 1681 ,(1984) , 10.1021/JA00318A021
Arne F. Andresen, Niels Hofman-Bang, Thor A. Bak, E. Varde, Gertrud Westin, Magnetic Phase Transitions in Stoichiometric FeS Studied by Means of Neutron Diffraction. Acta Chemica Scandinavica. ,vol. 14, pp. 919- 926 ,(1960) , 10.3891/ACTA.CHEM.SCAND.14-0919
Chikara Sugiura, Iron K x‐ray absorption‐edge structures of FeS and FeS2 Journal of Chemical Physics. ,vol. 80, pp. 1047- 1049 ,(1984) , 10.1063/1.446831
Michihide Kitamura, Chikara Sugiura, Shinji Muramatsu, Multiple-scattering calculation of sulfur K x-ray absorption spectra for FeS, CoS and NiS Solid State Communications. ,vol. 67, pp. 313- 316 ,(1988) , 10.1016/0038-1098(88)90623-0
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
Chikara Sugiura, Sulfur K x‐ray absorption spectra of FeS, FeS2, and Fe2S3 Journal of Chemical Physics. ,vol. 74, pp. 215- 217 ,(1981) , 10.1063/1.440876
A. E. Bocquet, T. Mizokawa, T. Saitoh, H. Namatame, A. Fujimori, Electronic structure of 3d-transition-metal compounds by analysis of the 2p core-level photoemission spectra Physical Review B. ,vol. 46, pp. 3771- 3784 ,(1992) , 10.1103/PHYSREVB.46.3771