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中国物理学会期刊

掺铝3C-SiC电子结构的第一性原理计算及其微波介电性能

CSTR: 32037.14.aps.61.237103

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

CSTR: 32037.14.aps.61.237103
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  • 采用基于密度泛函理论的第一性原理平面波超软赝势法,对比研究了未掺杂和Al掺杂3C-SiC材料的电子结构和介电常数.结果表明: Al掺杂后, Fermi能级进入价带,带隙宽度略为加宽,在8.2—12.4 GHz范围内介电常数大幅度增大. 利用燃烧合成法制备了Al掺杂的3C-SiC粉体吸收剂,通过矢量网络分析仪测试了样品在8.2—12.4 GHz 范围内的微波介电常数,验证了理论计算结果,并讨论了微波损耗机理.

     

    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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