Silicon Nanocrystals: Fundamentals, Synthesis and by Lorenzo Pavesi, Rasit Turan PDF

By Lorenzo Pavesi, Rasit Turan

ISBN-10: 3527321608

ISBN-13: 9783527321605

ISBN-10: 3527629963

ISBN-13: 9783527629961

This designated selection of wisdom represents a complete therapy of the elemental and sensible results of dimension relief in silicon crystals.This sincerely based reference introduces readers to the optical, electric and thermal houses of silicon nanocrystals that come up from their enormously decreased dimensions. It covers their synthesis and characterization from either chemical and actual viewpoints, together with ion implantation, colloidal synthesis and vapor deposition tools. an incredible a part of the textual content is dedicated to functions in microelectronics in addition to photonics and nanobiotechnology, making this of serious curiosity to the high-tech undefined.

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Extra resources for Silicon Nanocrystals: Fundamentals, Synthesis and Applications

Example text

Since our aim is to allow a direct comparison between the experimental data and the theoretical results, we have calculated the transition energies within the D-SCF approach as well as the absorption and emission optical spectra. The excited state corresponds to the electronic configuration in which the highest occupied single-particle state (HOMO) contains a hole, while the lowest unoccupied single-particle state (LUMO) contains the corresponding electron. The optical response of the nanocrystal has been evaluated for both the ground and the excited state optimized geometries through the imaginary part of the dielectric function e2 ðvÞ ea2 ðvÞ ¼ 4p2 e2 X 2 hvŠ; jhyc;k jpa jyv;k ij2 d½Ec ðkÞÀEv ðkÞÀÀ m2 v2 v;c;k V ð2:1Þ where a ¼ ðx; y; zÞ, Ev and Ec denote the energies of the valence yv;k and conduction yc;k band states at a k point (C in our case), and V is the supercell volume.

These low energy transitions originate from the interplay between the Si NC and the embedding matrix and in particular are also due to the O atoms present at the interface region. Indeed, comparing the imaginary part of the dielectric function (see the insets) for the embedded cluster (solid line) with that of the OH-terminated cluster (dotted line), one can see that the presence of OH groups at the surface of the cluster induces low energy transitions in fair agreement with the new peaks observed for the Si NC in the matrix.

When comparing our results for the ground state with other DFT calculations we note that there is in general a good agreement between them. 09 eV) clusters agree quite well with the experimental results of Itoh et al. [58]. 5 eV, respectively. Regarding the Stokes shift, really few data exist in literature, and, in particular for really small H-Si NC (from Si1H4 to Si10H16), no data exist. The dependence of the Stokes shift from the H-Si NC size qualitatively agrees with the calculations of Puzder et al.

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Silicon Nanocrystals: Fundamentals, Synthesis and Applications by Lorenzo Pavesi, Rasit Turan


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