Multiscale Modeling of Defect Formation During Solid-Phase Epitaxy Regrowth of Silicon

Prieto de Pedro, Mónica and Romero, I. and Martín-Bragado, Ignacio (2015). Multiscale Modeling of Defect Formation During Solid-Phase Epitaxy Regrowth of Silicon. "Acta Materialia", v. 82 ; pp. 115-122. ISSN 1359-6454. https://doi.org/10.1016/j.actamat.2014.07.067.

Description

Title: Multiscale Modeling of Defect Formation During Solid-Phase Epitaxy Regrowth of Silicon
Author/s:
  • Prieto de Pedro, Mónica
  • Romero, I.
  • Martín-Bragado, Ignacio
Item Type: Article
Título de Revista/Publicación: Acta Materialia
Date: 1 January 2015
ISSN: 1359-6454
Volume: 82
Subjects:
Freetext Keywords: Solid-Phase Epitaxial Regrowth, Multiscale, Finite Element Method, Molecular Dynamics, Lattice Kinetic Monte Carlo
Faculty: E.T.S.I. Caminos, Canales y Puertos (UPM)
Department: Ciencia de los Materiales
Creative Commons Licenses: Recognition - No derivative works - Non commercial

Full text

[img]
Preview
PDF - Requires a PDF viewer, such as GSview, Xpdf or Adobe Acrobat Reader
Download (3MB) | Preview

Abstract

This work presents a multiscale approach to understanding the defect formation during the evolution of solid-phase epitaxy regrowth in Si. A molecular dynamics (MD) simulation technique has been used to elucidate the defect formation mechanisms, as well as to determine their nature. A hybrid lattice kinetic Monte Carlo (LKMC)-finite element method (FEM) model fed by the outcome of MD was subsequently implemented. It scales up the simulation times and sizes, while reproducing the important features of the defected regrowth predicted previously. FEM calculations provide the strain pattern due to the density variation between the amorphous and crystalline phases, which is then taken into account by the LKMC model by including the effect of the strain in the rates of recrystallization. Overall, this multiscale modeling provides a physical explanation of the generation of defects and its relation with the presence of strain. The model also captures the character of formed defects. It distinguishes two types: twins formed at {111} planes and dislocations produced by the collapse of the two recrystallization fronts. Simulation results are validated by comparing them with significant experiments reported in the literature.

Funding Projects

TypeCodeAcronymLeaderTitle
Government of SpainRYC-2012-10639UnspecifiedUnspecifiedUnspecified
FP7293783MASTICFUNDACION IMDEA MATERIALESMulti Atomistic Monte Carlo Simulation of Technologically Important Crystals

More information

Item ID: 52157
DC Identifier: http://oa.upm.es/52157/
OAI Identifier: oai:oa.upm.es:52157
DOI: 10.1016/j.actamat.2014.07.067
Official URL: https://www.sciencedirect.com/science/article/pii/S1359645414005850
Deposited by: Memoria Investigacion
Deposited on: 13 Sep 2018 09:59
Last Modified: 14 Sep 2018 08:42
  • Logo InvestigaM (UPM)
  • Logo GEOUP4
  • Logo Open Access
  • Open Access
  • Logo Sherpa/Romeo
    Check whether the anglo-saxon journal in which you have published an article allows you to also publish it under open access.
  • Logo Dulcinea
    Check whether the spanish journal in which you have published an article allows you to also publish it under open access.
  • Logo de Recolecta
  • Logo del Observatorio I+D+i UPM
  • Logo de OpenCourseWare UPM