WO3量子薄膜的电子特性

D. Migas, V. Shaposhnikov
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摘要

通过从头算表明,在厚度大于1.5 nm的WO3量子膜中,量子约束效应对能带隙没有影响。我们还揭示了表面原子的状态稳定带隙边缘。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Electronic properties of WO3 quantum films
By ab initio calculations we show that quantum confinement effects do not affect the energy band gap in the quantum films of WO3 thicker than 1.5 nm. We have also revealed that states of the surface atoms stabilize the band-gap edges.
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