Electronic and atomic structures of the Si-C-N thin film by x-ray-absorption spectroscopy and theoretical calculations

doi:10.1103/PhysRevB.58.9018

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Title:	Electronic and atomic structures of the Si-C-N thin film by x-ray-absorption spectroscopy and theoretical calculations
Authors:	Chang, Y. K.;Hsieh, H. H.;Pong, Way-faung;Tsai, M.-H.;Lee, K. H.;Dann, T. E.;Chien, F. Z.;Tseng, P. K.;Tsang, K. L.;Su, W. K.;Chen, L. C.;Wei, S. L.;Chen, K. H.;Bhusari, D. M.;Chen, Y. F.
Contributors:	淡江大學物理學系
Date:	1998-10
Issue Date:	2013-07-09 15:24:41 (UTC+8)
Publisher:	College Park: American Physical Society
Abstract:	This study measures the x-ray-absorption spectra of a crystalline ~c!-Si-C-N thin film at the C and Si K edge using the sample drain current mode and at the N K edge using the fluorescence mode. A resonance peak resembling the C 1s core exciton in the chemical-vapor-deposition-diamond/Si is observed. In addition, a broad feature is found in the energy range between ;290 and 305 eV, which can be assigned to the antibonding C 2p-Si 3sp hybridized states and the C 2p-N 2sp hybridized states as well. The fact that the resonance peak is located ;1.5 eV below the C 1s ionization energy suggests that the Frenkel-type exciton model can appropriately describe the core exciton of carbon atoms in c-Si-C-N. Closely examining the N K edge near edge absorption spectra reveals similar features in both c-Si-C-N and a-Si3N4, indicating that nitrogen atoms generally have a similar local environment in these two materials. Moreover, results obtained from Si K-edge absorption spectra of c-Si-C-N demonstrate a proportional combination of local Si-N and Si-C bonds associated with the local tetrahedral C-Si-N3 arrangement as well as the long-range ordered atomic structure around Si atoms. Theoretical calculations using the first-principles pseudofunction method are also presented and compared with experimental data.
Relation:	Physical Review B (Condensed Matter) 58(14), pp.9018-9024
DOI:	10.1103/PhysRevB.58.9018
Appears in Collections:	[Graduate Institute & Department of Physics] Journal Article

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