Ge nanocrystals (6-9 nm) embedded between amorphous Al 2 O 3 films were produced in a cluster beam deposition system. The microstructural evaluation and compressive stress experienced by the Ge nanocrystals due to the presence of an oxide layer, nanoparticle size distribution and their changes due to thermal annealing were studied by X-ray diffraction, HRTEM and Raman spectroscopy. Spectroscopic ellipsometry was used to measure the dielectric functions of the deposited films. A multilayer model based on the effective medium approximation was used to analyze the variation of percentage of defects and the extent of disorder with particle size of the nanocrystals. The correlation between the microstructural characteristics and optical properties was established by evaluating standard sum rules. Germanium nanocrystals show visible photo luminescence at room temperature around 3.0 and 2.8 eV. However, a peak shift towards lower energies with increasing particle size due to thermal annealing was not detected. The experimentally observed luminescence is presumably originated due to the presence of oxiderelated defect centers at the interface between the germanium nanocrystals and the embedded oxide layers.
We present a real-space formulation for calculating the electronic structure and optical conductivity of such random alloys based on the Kubo-Greenwood formalism interfaced with the augmented space recursion (ASR) [A. Mookerjee, J. Phys. C: Solid State Phys. 6, 1340 (1973)] formulated with the Tight-binding Linear Muffin-tin Orbitals (TB-LMTO) basis with van Leeuwen-Baerends corrected exchange (vLB) [Singh et al., Phys. Rev B 93, 085204, (2016)]. This approach has been used to quantitatively analyze the effect of chemical disorder on the configuration averaged electronic properties and optical response of 2D honeycomb siliphene SixC1−x beyond the usual Dirac-cone approximation. We predicted the quantitative effect of disorder on both the electronic-structure and optical response over a wide energy range, and the results discussed in the light of the available experimental and other theoretical data. Our proposed formalism may open up a facile way for planned band gap engineering in opto-electronic applications.
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