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Defects and phonon assisted optical transitions in Si nanocrystals

机译:Si纳米晶体中的缺陷和声子辅助光学跃迁

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Phonon-assisted and zero-phonon radiative transitions in nanoscale silicon quantum dots are studied using a new approach which combines a full calculation of the confined electronic eigenstates and vibration modes. We predict that the confinement, combined with the indirect bandgap of bulk silicon, must have several important consequences on the luminescence of a single silicon dot: i) a large broadening of the peaks, in the range of 10s of meV for a 3 nm dot, in spite of the atomic-like electronic structure of the dot ii) a great sensitivity of the spectrum to the size and the shape of the dot. We obtain that phonon-assisted transitions always dominate, even for size below 2 nm. Finally, we show that the radiative recombination in presence of an oxygen related surface defect (Si=O) is also assisted by optical phonons.
机译:使用一种新方法研究了纳米级硅量子点中的声子辅助和零声子辐射跃迁,该方法结合了对受限电子本征态和振动模式的完整计算。我们预测,与大块硅的间接带隙相结合,该限制必定会对单个硅点的发光产生若干重要影响:i)峰的宽幅较大,对于3 nm点,其范围为10s meV。尽管点的原子状电子结构ii)光谱对点的大小和形状非常敏感。我们获得了声子辅助跃迁始终占主导地位,即使尺寸小于2 nm。最后,我们表明,在存在与氧有关的表面缺陷(Si = O)的情况下,辐射声复合也受到光子的辅助。

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