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First principles calculation of electronic structure for Al-doped 3C-SiC and its microwave dielectric properties

Li Zhi-Min Shi Jian-Zhang Wei Xiao-Hei Li Pei-Xian Huang Yun-Xia Li Gui-Fang Hao Yue

First principles calculation of electronic structure for Al-doped 3C-SiC and its microwave dielectric properties

Li Zhi-Min, Shi Jian-Zhang, Wei Xiao-Hei, Li Pei-Xian, Huang Yun-Xia, Li Gui-Fang, Hao Yue
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  • Received Date:  31 March 2012
  • Accepted Date:  25 June 2012
  • Published Online:  05 December 2012

First principles calculation of electronic structure for Al-doped 3C-SiC and its microwave dielectric properties

  • 1. School of Technical Physics, Xidian University, Xi'an 710071, China;
  • 2. Key Laboratory of Wide Band-gap Semiconductor Materials & Devices, Xidian University, Xi'an 710071, China
Fund Project:  Project supported by the Fundamental Research Funds for the Central Universities of Ministry of Education of China (Grant Nos. K5051205006, K5051105006).

Abstract: The electronic structure and permittivity of Al-doped 3C-SiC are studied by using the first principles plane-wave pseudopotential method based on the density functional theory, and compared with those of undoped 3C-SiC. Results show that the Fermi energy level introduced into valence band and band gap is slightly widened through Al doping for 3C-SiC, and that the permittivity is greatly improved in a frequency range of 8.2-12.4 GHz. Al doped 3C-SiC powder absorber is prepared by combustion synthesis, and the permittivities of the samples are measured in the frequency range of 8.2-12.4 GHz by vector network analyzer, which validates the results of theoretical calculation. The mechanism of microwave loss is discussed.

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