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<i>(Invited)</i> Large-Scale DFT Study of Ge/Si 3D Nanoislands and Core-Shell Nanowires
摘要： Density functional theory (DFT) calculations have been playing important roles to clarify the structures of semiconductor surfaces at atomic scale. However, DFT studies of complex nanostructures are usually impossible because conventional DFT methods cannot treat large systems containing many thousands of atoms. In this paper, we survey our large scale DFT study on (i) the growth of Ge 3D nanostructure on Si(001) substrate and (ii) the atomic and electronic structures of Si/Ge or Ge/Si core-shell nanowires, using our linear-scaling DFT code CONQUEST. The code uses large-scale DFT techniques and has high efficiency on massively parallel computers. We demonstrate that CONQUEST can calculate the atomic positions of the realistic models of nanostructures observed in experiments and can clarify the unique electronic properties of these nano-structured materials.
关键词： nanoislands,CONQUEST,Ge/Si,DFT,core-shell nanowires
更新于2025-09-23 15:21:21
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Fast transformation of Rare-earth doped luminescent sub-microcrystal via plasmonic nanoislands
摘要： An efficient and fast transformation scheme for the matrix crystal of Rare-earth doped luminescent micro-nanomaterials is developed by using plasmonic gold/silver nanoislands. The transformation is realized through an oxidation reaction from polycrystalline sub-microcrystal to a single crystal, accompanied by an optimization of crystal structure and a significant increase in luminescence. The crystal transformation can be achieved in tens of milliseconds, and the rate is controlled not only by the laser illumination power and wavelength, but also by the size and nanogap of nanoislands. Particularly, single crystal transformation is also achieved even at very low temperature, which provides a new way to obtain single crystal materials in harsh environment. Moreover, the crystal transformation efficiency of the gold plasmonic islands is very stable in air over at least three months. This plasmon driven crystal transformation rapidly provides highly crystalline nanomaterials, which breaks the dependence of high temperature, long period and high energy consumption in the traditional annealing treatment.
关键词： luminescent,nanoislands,Rare-earth,crystal transformation,plasmonic
更新于2025-09-23 15:19:57
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[IEEE 2019 IEEE 16th International Conference on Group IV Photonics (GFP) - Singapore, Singapore (2019.8.28-2019.8.30)] 2019 IEEE 16th International Conference on Group IV Photonics (GFP) - Photoluminescence Enhancement Phenomena in Photonic Crystal Slabs Formed on Si Structures with the Self-Assembled Ge Nanoislands
摘要： The strong enhancement of photoluminescence intensity was observed in photonic crystal slabs realized on Si structures with the self-assembled Ge nanoislands. The observed phenomena are described in terms of the nanoislands – photonic crystal modes interaction.
关键词： Ge nanoislands,bound state in the continuum,photonic mode,photonic crystals,photoluminescence
更新于2025-09-16 10:30:52
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[IEEE 2019 IEEE 16th International Conference on Group IV Photonics (GFP) - Singapore, Singapore (2019.8.28-2019.8.30)] 2019 IEEE 16th International Conference on Group IV Photonics (GFP) - Photoluminescence Enhancement Phenomena in Photonic Crystal Slabs Formed on Si Structures with the Self-Assembled Ge Nanoislands
摘要： The strong enhancement of photoluminescence intensity was observed in photonic crystal slabs realized on Si structures with the self-assembled Ge nanoislands. The observed phenomena are described in terms of the nanoislands – photonic crystal modes interaction.
关键词： Ge nanoislands,photonic crystals,bound state in the continuum,photoluminescence,photonic mode
更新于2025-09-16 10:30:52