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Optical properties from photoelectron energy-loss spectroscopy of low- temperature aqueous chemically synthesized ZnO nanorods grown on Si

机译:Si上生长的低温水性化学合成ZnO纳米棒的光电子能量损失谱的光学性质

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The optical properties of zinc oxide (ZnO) nanorods (NRs) synthesized by the low-temperature aqueous chemical method on top of silicon (Si) substrate have been investigated by means of photoelectron energy loss spectroscopy (PEELS). The ZnO NRs were obtained by the low temperature aqueous chemical synthesis on top of Si substrate. The measured valence band, the dynamical dielectric functions and optical absorption of the material show a reasonable agreement when the trending and shape of the theoretical calculations are considered. A first-principle calculation based on density functional theory (DFT) was performed using the partially self-consistent GW approximation (scGW(0)) and compared to the experimental results. The application of these two techniques brings a new analysis of the electronic properties of this material. The experimental results regarding the density of states (DOS) obtained for the valence band using x-ray photoelectron spectroscopy (XPS) was found to be consistent with the theoretical calculated value. Due to this consistency, the same wavefunctions was then employed to calculate the dielectric function of the ZnO NRs. The experimentally extracted dielectric function was also consistent with the calculated values.
机译:利用光电子能量损失谱(PEELS)研究了通过低温水性化学方法在硅(Si)衬底上合成的氧化锌(ZnO)纳米棒(NRs)的光学性能。 ZnO NRs是通过低温水化学合成在Si衬底上获得的。当考虑理论计算的趋势和形状时,测得的价带,材料的动态介电函数和光吸收显示出合理的一致性。使用部分自洽的GW近似(scGW(0))进行了基于密度泛函理论(DFT)的第一性原理计算,并将其与实验结果进行了比较。这两种技术的应用为这种材料的电子性能带来了新的分析。发现关于利用X射线光电子能谱(XPS)获得的价带的态密度(DOS)的实验结果与理论计算值一致。由于这种一致性,因此采用了相同的波函数来计算ZnO NR的介电函数。实验提取的介电函数也与计算值一致。

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