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

Y. K. Chang, H. H. Hsieh, W. F. Pong, M.-H. Tsai, K. H. Lee, T. E. Dann, F. Z. Chien, P. K. Tseng, K. L. Tsang, W. K. Su, L. C. Chen, S. L. Wei, K. H. Chen, D. M. Bhusari, and Y. F. Chen
Phys. Rev. B 58, 9018 – Published 1 October 1998
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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 αSi3N4, 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 CSiN3 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.

  • Received 24 October 1997

DOI:https://doi.org/10.1103/PhysRevB.58.9018

©1998 American Physical Society

Authors & Affiliations

Y. K. Chang, H. H. Hsieh, and W. F. Pong*

  • Department of Physics, Tamkang University, Tamsui, Taiwan 251, Republic of China

M.-H. Tsai

  • Department of Physics, National Sun Yat-Sen University, Kaohsiung, Taiwan 804, Republic of China

K. H. Lee

  • Department of Physics, Tamkang University, Tamsui, Taiwan 251, Republic of China

T. E. Dann

  • Department of Physics, Tamkang University, Tamsui, Taiwan 251, Republic of China
  • Synchrotron Radiation Research Center, Hsinchu, Taiwan 300, Republic of China

F. Z. Chien and P. K. Tseng

  • Department of Physics, Tamkang University, Tamsui, Taiwan 251, Republic of China

K. L. Tsang

  • Synchrotron Radiation Research Center, Hsinchu, Taiwan 300, Republic of China

W. K. Su

  • Department of Applied Physics, Chung-Cheng Institute of Technology, Ta-Hsi, Taiwan 335, Republic of China

L. C. Chen and S. L. Wei

  • Center for Condensed Matter Sciences, National Taiwan University, Taipei, Taiwan 107, Republic of China

K. H. Chen and D. M. Bhusari

  • Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei, Taiwan 107, Republic of China

Y. F. Chen

  • Department of Physics, National Taiwan University, Taipei, Taiwan 107, Republic of China

  • *Author to whom all correspondence should be addressed.

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Issue

Vol. 58, Iss. 14 — 1 October 1998

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