Atomistic simulation of ion irradiation of semiconductor heterostructures

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Recently the possibility to use ion beam mixing combined with suitable annealing has been suggested as a possible means to synthesize individual silicon quantum dots in a silica layer, with the possibility to function as single-electron transistors. For this to work, it is necessary to have a careful control of the ion beam mixing in Si/SiO2/Si heterostructures, as well as understand the nature of not only the composition, but also the chemical modification of the SiO2 layer by the mixing with Si. We describe here a procedure to synthesize Si/SiO2/Si heterostructures in molecular dynamics, with an energy minimization scheme to create strong and stable interfaces. The created heterostructures are irradiated at energies and fluences matching corresponding experiments. The results show a considerable degree of interface mixing, as expected. They also show some densification of the silica layer due to recoil implantation, and formation of a considerable number of coordination defects. Due to the strong covalent bonding in silicon and silica, the densification is not fully elastically relaxed even in the presence of a nearby surface.
Original languageEnglish
JournalNuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms
Pages (from-to)14-18
Number of pages5
Publication statusPublished - 18 Oct 2017
MoE publication typeA4 Article in conference proceedings
EventIBMM2016 - Wellington, New Zealand
Duration: 30 Oct 20164 Nov 2016
Conference number: 20

Fields of Science

  • 114 Physical sciences

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