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Title: Erbium Implantation in Silica Studied by Molecular Dynamics Simulations

Abstract

Defect formation induced by erbium implantation in silica glass and cristobalite was studied using molecular dynamics simulations employing a partial charge model in combination with the ZBL potential. The results show that the number of displaced atoms generated at the same PKA energy is similar in silica and cristobalite but the number of coordination defects created is much lower in the cristobalite than in silica glass. In both cases, the erbium ion is able to create an optimal coordination environment at the end of the collision cascade. Subsequent thermal annealing causes the relaxation of the silicon oxygen network structure along with a reduction of silicon and oxygen defects. This research is supported by the Divisions of Materials Sciences and Engineering and Chemical Science, Office of Basic Energy Sciences, U.S. Department of Energy. The Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

Authors:
;
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
909460
Report Number(s):
PNNL-SA-52162
KC0301020; TRN: US0703891
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Resource Relation:
Journal Name: Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms, 255(1(SP ISS)):177-182; Journal Volume: 255; Journal Issue: 1(SP ISS)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; ANNEALING; ATOMS; CRISTOBALITE; DEFECTS; ERBIUM; ERBIUM IONS; GLASS; OXYGEN; RELAXATION; SILICA; SILICON; ion implantation; molecular dynamics simulation; glass; displacement cascades; optical materials

Citation Formats

Du, Jincheng, and Corrales, Louis R. Erbium Implantation in Silica Studied by Molecular Dynamics Simulations. United States: N. p., 2007. Web. doi:10.1016/j.nimb.2006.11.065.
Du, Jincheng, & Corrales, Louis R. Erbium Implantation in Silica Studied by Molecular Dynamics Simulations. United States. doi:10.1016/j.nimb.2006.11.065.
Du, Jincheng, and Corrales, Louis R. Thu . "Erbium Implantation in Silica Studied by Molecular Dynamics Simulations". United States. doi:10.1016/j.nimb.2006.11.065.
@article{osti_909460,
title = {Erbium Implantation in Silica Studied by Molecular Dynamics Simulations},
author = {Du, Jincheng and Corrales, Louis R.},
abstractNote = {Defect formation induced by erbium implantation in silica glass and cristobalite was studied using molecular dynamics simulations employing a partial charge model in combination with the ZBL potential. The results show that the number of displaced atoms generated at the same PKA energy is similar in silica and cristobalite but the number of coordination defects created is much lower in the cristobalite than in silica glass. In both cases, the erbium ion is able to create an optimal coordination environment at the end of the collision cascade. Subsequent thermal annealing causes the relaxation of the silicon oxygen network structure along with a reduction of silicon and oxygen defects. This research is supported by the Divisions of Materials Sciences and Engineering and Chemical Science, Office of Basic Energy Sciences, U.S. Department of Energy. The Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.},
doi = {10.1016/j.nimb.2006.11.065},
journal = {Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms, 255(1(SP ISS)):177-182},
number = 1(SP ISS),
volume = 255,
place = {United States},
year = {Thu Feb 01 00:00:00 EST 2007},
month = {Thu Feb 01 00:00:00 EST 2007}
}