Defect and density evolution under high-fluence ion irradiation of Si/SiO2 heterostructures

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http://hdl.handle.net/10138/316257

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Djurabekova , F , Fridlund , C & Nordlund , K 2020 , ' Defect and density evolution under high-fluence ion irradiation of Si/SiO2 heterostructures ' , Physical Review Materials , vol. 4 , no. 1 , 013601 . https://doi.org/10.1103/PhysRevMaterials.4.013601

Title: Defect and density evolution under high-fluence ion irradiation of Si/SiO2 heterostructures
Author: Djurabekova, F.; Fridlund, C.; Nordlund, K.
Contributor: University of Helsinki, Department of Physics
University of Helsinki, Materials Physics
University of Helsinki, Department of Physics
Date: 2020-01-03
Language: eng
Number of pages: 12
Belongs to series: Physical Review Materials
ISSN: 2475-9953
URI: http://hdl.handle.net/10138/316257
Abstract: We present molecular dynamics simulations of atomic mixing over a Si/SiO2 heterostructure interface, induced by focused Ne+ and broad Si(+ )ion-beam irradiations, using a speed-up scheme that significantly reduces the relaxation time of the cascading recoils. To assess the qualitative reliance of the chosen method, two different potential models for Si-O, Si-Si, and O-O interactions were used: the Stillinger-Weber-like Watanabe-Samela potential and the Tersoff-like Munetoh potential. Furthermore, the molecular dynamics simulations were assessed by simulating a similar case, at a total fluence of 1 x10(15) cm(-2), with the binary collision approximation. The same general atomic density profile distributions were achieved with both models; however, the binary collision approach showed shallower penetration of Si into the SiO(2 )layer. Coordination analysis of the molecular dynamics results provides strong evidence that ion mixing at high fluences leads to coordination defects, which will affect the electronic properties of the structures unless removed with annealing.
Subject: SINGLE-ELECTRON TRANSISTOR
SILICON QUANTUM-DOT
MOLECULAR-DYNAMICS
SI NANOCRYSTALS
NANOCLUSTER FORMATION
LAYER FORMATION
BEAM SYNTHESIS
SIMULATION
RADIATION
DENSIFICATION
114 Physical sciences
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