TY - JOUR
T1 - Hydrogen interactions with intrinsic defects in silicon
AU - Hastings, J. L.
AU - Gharaibeh, M.
AU - Estreicher, Stefan K.
AU - Fedders, P. A.
N1 - Funding Information:
This work was supported in part by the grant D-1126 from the R.A. Welch Foundation and by the contract XAD-7-17652-01 from the National Renewable Energy Laboratory.
Copyright:
Copyright 2018 Elsevier B.V., All rights reserved.
PY - 1999/12/15
Y1 - 1999/12/15
N2 - The interactions between hydrogen and intrinsic defects in silicon are studied using ab initio molecular dynamics simulations in periodic supercells and Hartree-Fock in saturated clusters. The two issues discussed here are the complexes involving one neutral self-interstitial with one to four H's and the trapping of a single H at various vacancy aggregates. The binding energies, structures, and properties of these defects are calculated.
AB - The interactions between hydrogen and intrinsic defects in silicon are studied using ab initio molecular dynamics simulations in periodic supercells and Hartree-Fock in saturated clusters. The two issues discussed here are the complexes involving one neutral self-interstitial with one to four H's and the trapping of a single H at various vacancy aggregates. The binding energies, structures, and properties of these defects are calculated.
UR - http://www.scopus.com/inward/record.url?scp=0033342286&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0033342286&partnerID=8YFLogxK
U2 - 10.1016/S0921-4526(99)00456-1
DO - 10.1016/S0921-4526(99)00456-1
M3 - Conference article
AN - SCOPUS:0033342286
VL - 273-274
SP - 216
EP - 219
JO - Physica B: Condensed Matter
JF - Physica B: Condensed Matter
SN - 0921-4526
T2 - Proceedings of the 1999 20th International Conference on Defects in Semiconductors (ICDS-20)
Y2 - 26 July 1999 through 30 July 1999
ER -