Electronic structure of tin oxides by Electron Energy-Loss Spectroscopy and real-space multiple scattering calculations

M.S.MORENO, R.F.EGERTON, J.J.REHR AND P.A.MIDGLEY

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS

The American Physical Society

Año: 2005 vol. 71 p. 35103 - 35109

0163-1829

The electronic structure of the tin oxides SnO and SnO2 is studied using the fine structure of the Sn–M4,5 and oxygen K-edges measured by electron energy loss spectroscopy (EELS). The experimental results are compared with real-space multiple scattering calculations. It is observed that both edges are overlapped. The calculations reveal that the observed fine structure is due largely to the oxygen states, and that it can be used to fingerprint each phase. The calculated densities of states are similar for both compounds and suggest a covalent nature. The structures appearing within the first 10 eV above the threshold arise from a covalent mixing of mainly O 2p and Sn 5s-p. For SnO the oxygen edge is satisfactorily reproduced. Discrepancies in the predicted energy position of the features in the EELS of SnO2 are briefly discussed.2 is studied using the fine structure of the Sn–M4,5 and oxygen K-edges measured by electron energy loss spectroscopy (EELS). The experimental results are compared with real-space multiple scattering calculations. It is observed that both edges are overlapped. The calculations reveal that the observed fine structure is due largely to the oxygen states, and that it can be used to fingerprint each phase. The calculated densities of states are similar for both compounds and suggest a covalent nature. The structures appearing within the first 10 eV above the threshold arise from a covalent mixing of mainly O 2p and Sn 5s-p. For SnO the oxygen edge is satisfactorily reproduced. Discrepancies in the predicted energy position of the features in the EELS of SnO2 are briefly discussed.