Atypical quantum confinement effect in silicon nanowires


Тип публикации: статья из журнала

Год издания: 2008

Идентификатор DOI: 10.1021/jp805069b

Ключевые слова: Electric wire, Energy gap, Gallium alloys, Mathematical models, Nanostructured materials, Nanostructures, Nanowires, Quantum confinement, Quantum electronics, Semiconductor quantum dots, Silicon, Ami methods, Band gaps, Blue shifts, Dinger equations, Linear junctions, Monotonic decreases, Quantum confinement effects, Quantum dots, Semiempirical, Silicon nanowires, System sizes, Theoretical models, Nanocrystalline silicon, nanowire, quantum dot, article, chemistry, electron, quantum theory, Electrons

Аннотация: The quantum confinement effect (QCE) of linear junctions of silicon icosahedral quantum dots (IQD) and pentagonal nanowires (PNW) was studied using DFT and semiempirical AM1 methods. The formation of complex IQD/PNW structures leads to the localization of the HOMO and LUMO on different parts of the system and to a pronounced blue sПоказать полностьюhift of the band gap; the typical QCE with a monotonic decrease of the band gap upon the system size breaks down. A simple one-electron one-dimensional Schrodinger equation model is proposed for the description and explanation of the unconventional quantum confinement behavior of silicon IQD/PNW systems. On the basis of the theoretical models, the experimentally discovered deviations from the typical QCE for nanocrystalline silicon are explained.

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Выпуск журнала: Vol. 112, Is. 40

Номера страниц: 9955-9964

ISSN журнала: 10895639

Место издания: WASHINGTON



  • Sorokin P.B. (N. M. Emanuel Institute of Biochemical Physics,RAS)
  • Ovchinnikov S.G. (L.V. Kirensky Institute of Physics,SB,RAS)
  • Avramov P.V. (Fukui Institute for Fundamental Chemistry,Kyoto University)
  • Chernozatonskii L.A. (N. M. Emanuel Institute of Biochemical Physics,RAS)
  • Fedorov D.G. (Research Institute for Computational Sciences,National Institute of Advanced Industrial Science and Technology (AIST),Central 2)