INVESTIGATION OF BONDING IN NANO-SiO2 BY Si L2,3 X-RAY ABSORPTION NEAR-EDGE STRUCTURE SPECTROSCOPY

Abstract

Abstract: The Si L2,3 X-ray absorption near-edge structure (XANES) can be used to probe thelocal structure around Si and derive electronic information of the unoccupied s- andd-like partial density of states in nano-size SiO2. We present Si L2,3-edge for threedifferent size silicates acquired by total electron yield (TEY) at the photoemission sta-tion of Beijing Synchrotron Radiation Facility (BSRF). The Si L2,3-edge spectra areinterpreted based on ab initio full multiple-scattering (MS) calculation. The Si L2.3-edge of nano-size materials has XANES similar to that of a-quartz. The similaritiesbetween the Si L2.3-edge shapes attest to a common molecular-orbital picture of theirSi-O bonding and the same coordination state. However, a considerable broadeningof Si L2,3-edge XANES spectra as decrease of particle size is also an indicative ofpolyhedral distortions.

Key words: multiple scattering calculation, X-ray absorption, nano particle, electronic structure

Z.Y. Wu. INVESTIGATION OF BONDING IN NANO-SiO2 BY Si L2,3 X-RAY ABSORPTION NEAR-EDGE STRUCTURE SPECTROSCOPY[J]. Acta Metallurgica Sinica (English Letters), 2001, 14(6): 473-478 .

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