中国物理B ›› 2004, Vol. 13 ›› Issue (12): 2126-2129.doi: 10.1088/1009-1963/13/12/026

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇    下一篇

Theoretical study on the band structure and optical properties of 4H-SiC

徐彭寿, 谢长坤, 潘海斌, 徐法强   

  1. National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230026, China
  • 收稿日期:2004-02-25 修回日期:2004-06-21 出版日期:2005-03-17 发布日期:2005-03-17
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No 50132040) and the Knowledge Innovation Programme of Chinese Academy of Sciences.

Theoretical study on the band structure and optical properties of 4H-SiC

Xu Peng-Shou (徐彭寿), Xie Chang-Kun (谢长坤), Pan Hai-Bin (潘海斌), Xu Fa-Qiang (徐法强)   

  1. National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230026, China
  • Received:2004-02-25 Revised:2004-06-21 Online:2005-03-17 Published:2005-03-17
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No 50132040) and the Knowledge Innovation Programme of Chinese Academy of Sciences.

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摘要： We have studied the band structure and optical properties of 4H-SiC by using a full potential linearized augmented plane waves (FPLAPW) method. The density of states (DOS) and band structure are presented. The imaginary part of the dielectric function has been obtained directly from the band structure calculation. With band gap correction, the real part of the dielectric function has been derived from the imaginary part by the Kramers－Kronig (KK) dispersion relationship. The values of reflectivity for normal incidence as a function of photon energy have also been calculated. We found the theoretical results are in good agreement with the experimental data.

Abstract: We have studied the band structure and optical properties of 4H-SiC by using a full potential linearized augmented plane waves (FPLAPW) method. The density of states (DOS) and band structure are presented. The imaginary part of the dielectric function has been obtained directly from the band structure calculation. With band gap correction, the real part of the dielectric function has been derived from the imaginary part by the Kramers－Kronig (KK) dispersion relationship. The values of reflectivity for normal incidence as a function of photon energy have also been calculated. We found the theoretical results are in good agreement with the experimental data.

Key words: 4H-SiC, FPLAPW, band structure, optical property

中图分类号:  (Basis sets (LCAO, plane-wave, APW, etc.) and related methodology (scattering methods, ASA, linearized methods, etc.))

  • 71.15.Ap
71.20.Ps (Other inorganic compounds) 78.20.Bh (Theory, models, and numerical simulation) 78.20.Ci (Optical constants (including refractive index, complex dielectric constant, absorption, reflection and transmission coefficients, emissivity))