Atomistic simulation of ion irradiation of semiconductor heterostructures

Research output: Contribution to journalConference articleScientificpeer-review

Abstract

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
Volume409
Pages (from-to)14-18
Number of pages5
ISSN0168-583X
DOIs
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

Cite this

@article{1ddf6577a0ad4ed88b0ab7b52768e9b0,
title = "Atomistic simulation of ion irradiation of semiconductor heterostructures",
abstract = "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.",
keywords = "114 Physical sciences",
author = "Christoffer Fridlund and Jarno Laakso and Kai Nordlund and Flyura Djurabekova",
note = "Volume: Host publication title: Proceedings of the 20th International Conference on Ion Beam Modification of Materials (IBMM 2016) Proceeding volume: 409",
year = "2017",
month = "10",
day = "18",
doi = "10.1016/j.nimb.2017.04.034",
language = "English",
volume = "409",
pages = "14--18",
journal = "Nuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms",
issn = "0168-583X",
publisher = "Elsevier",

}

TY - JOUR

T1 - Atomistic simulation of ion irradiation of semiconductor heterostructures

AU - Fridlund, Christoffer

AU - Laakso, Jarno

AU - Nordlund, Kai

AU - Djurabekova, Flyura

N1 - Volume: Host publication title: Proceedings of the 20th International Conference on Ion Beam Modification of Materials (IBMM 2016) Proceeding volume: 409

PY - 2017/10/18

Y1 - 2017/10/18

N2 - 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.

AB - 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.

KW - 114 Physical sciences

U2 - 10.1016/j.nimb.2017.04.034

DO - 10.1016/j.nimb.2017.04.034

M3 - Conference article

VL - 409

SP - 14

EP - 18

JO - Nuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms

JF - Nuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms

SN - 0168-583X

ER -