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Title: Defect reaction network in Si-doped InP : numerical predictions.

Abstract

This Report characterizes the defects in the defect reaction network in silicon-doped, n-type InP deduced from first principles density functional theory. The reaction network is deduced by following exothermic defect reactions starting with the initially mobile interstitial defects reacting with common displacement damage defects in Si-doped InP until culminating in immobile reaction products. The defect reactions and reaction energies are tabulated, along with the properties of all the silicon-related defects in the reaction network. This Report serves to extend the results for intrinsic defects in SAND 2012-3313: %E2%80%9CSimple intrinsic defects in InP: Numerical predictions%E2%80%9D to include Si-containing simple defects likely to be present in a radiation-induced defect reaction sequence.

Authors:
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1096486
Report Number(s):
SAND2013-8595
476836
DOE Contract Number:  
AC04-94AL85000
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English

Citation Formats

Schultz, Peter Andrew. Defect reaction network in Si-doped InP : numerical predictions.. United States: N. p., 2013. Web. doi:10.2172/1096486.
Schultz, Peter Andrew. Defect reaction network in Si-doped InP : numerical predictions.. United States. https://doi.org/10.2172/1096486
Schultz, Peter Andrew. 2013. "Defect reaction network in Si-doped InP : numerical predictions.". United States. https://doi.org/10.2172/1096486. https://www.osti.gov/servlets/purl/1096486.
@article{osti_1096486,
title = {Defect reaction network in Si-doped InP : numerical predictions.},
author = {Schultz, Peter Andrew},
abstractNote = {This Report characterizes the defects in the defect reaction network in silicon-doped, n-type InP deduced from first principles density functional theory. The reaction network is deduced by following exothermic defect reactions starting with the initially mobile interstitial defects reacting with common displacement damage defects in Si-doped InP until culminating in immobile reaction products. The defect reactions and reaction energies are tabulated, along with the properties of all the silicon-related defects in the reaction network. This Report serves to extend the results for intrinsic defects in SAND 2012-3313: %E2%80%9CSimple intrinsic defects in InP: Numerical predictions%E2%80%9D to include Si-containing simple defects likely to be present in a radiation-induced defect reaction sequence.},
doi = {10.2172/1096486},
url = {https://www.osti.gov/biblio/1096486}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Oct 01 00:00:00 EDT 2013},
month = {Tue Oct 01 00:00:00 EDT 2013}
}