The effects of a transverse electric field, of intensities ranging from 0 to 0.20 V/Å, on the band gap width of SiC nanotubes (SiCNTs) are investigated by means of density functional theory. A decrease in the band gap width, as a function of the electric field, is observed and the mechanism for such reduction, as well as its dependence on the nanotube diameter, is analyzed. An empirical model to describe the field dependence of the band gap is also proposed.
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机译:利用密度泛函理论研究了强度为0至0.20 V /Å的横向电场对SiC纳米管(SiCNTs)带隙宽度的影响。观察到带隙宽度随电场的变化而减小,并分析了这种减小的机理及其对纳米管直径的依赖性。还提出了描述带隙的场依赖性的经验模型。
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