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      Computational modeling of quantum-confined impact ionization in Si nanocrystals embedded in SiO2

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      Author(s)
      Sevik, C.
      Bulutay, C.
      Date
      2007
      Source Title
      Physica E: Low-Dimensional Systems and Nanostructures
      Print ISSN
      1386-9477
      Volume
      38
      Issue
      1-2
      Pages
      118 - 121
      Language
      English
      Type
      Article
      Item Usage Stats
      139
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      Abstract
      Injected carriers from the contacts to delocalized bulk states of the oxide matrix via Fowler-Nordheim tunneling can give rise to quantum-confined impact ionization (QCII) of the nanocrystal (NC) valence electrons. This process is responsible for the creation of confined excitons in NCs, which is a key luminescence mechanism. For a realistic modeling of QCII in Si NCs, a number of tools are combined: ensemble Monte Carlo (EMC) charge transport, ab initio modeling for oxide matrix, pseudopotential NC electronic states together with the closed-form analytical expression for the Coulomb matrix element of the QCII. To characterize the transport properties of the embedding amorphous SiO2, ab initio band structure and density of states of the α-quartz phase of SiO2 are employed. The confined states of the Si NC are obtained by solving the atomistic pseudopotential Hamiltonian. With these ingredients, realistic modeling of the QCII process involving a SiO2 bulk state hot carrier and the NC valence electrons is provided.
      Keywords
      Ensamble Monte Carlo
      High field transport
      Quantum confined impact ionization
      Si nanocrystals
      Amorphous materials
      Charge transfer
      Hamiltonians
      Ionization
      Luminescence
      Monte Carlo methods
      Quantum confinement
      Silica
      High field transport
      Quantum confined impact ionization
      Realistic modeling
      Valence electrons
      Nanocrystals
      Permalink
      http://hdl.handle.net/11693/23510
      Published Version (Please cite this version)
      http://dx.doi.org/10.1016/j.physe.2006.12.044
      Collections
      • Department of Physics 2397
      • Institute of Materials Science and Nanotechnology (UNAM) 1930
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