Modélisation de structures atomiques et électroniques. Matériaux fonctionnels nanostructurés pour la micro et l'optoélectronique

Abstract : We studied the electronic properties of silicon nanocrystals embedded in silica SiO2 matrix doped and undoped by erbium. First, we were interested in silicon nanocrystals embedded in different crystallin forms of SiO2. We built several models by changing the size of the supercell and of the nanocrystal. Then, we studied the influence of some parameters on the electronic properties: the nanocrystal size, the interface defects, the nanocrystal density per volume unity of material and the crystallin form of the matrix. Finally, from the nanocrystals structures obtained previously, we added an erbium atom per supercell. We explored the stability of the different rare earth positions and the electronic properties of the material in order to envisage a possible energie transfer mechanism between a silicon nanocrystal and an erbium atom.
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Submitted on : Wednesday, April 14, 2010 - 5:03:56 PM
Last modification on : Tuesday, February 5, 2019 - 12:12:29 PM
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  • HAL Id : tel-00473222, version 1

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Ngoc Bich Nguyen. Modélisation de structures atomiques et électroniques. Matériaux fonctionnels nanostructurés pour la micro et l'optoélectronique. Physique Atomique [physics.atom-ph]. Université de Caen, 2010. Français. ⟨tel-00473222⟩

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