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Ab initio modelling of boron related defects in amorphous silicon

✍ Scribed by Tiago A. Oliveira; Vítor J.B. Torres


Book ID
115561656
Publisher
John Wiley and Sons
Year
2012
Tongue
English
Weight
312 KB
Volume
9
Category
Article
ISSN
1862-6351

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Ab initio energetics of phosphorus relat
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We present ab initio calculation for binding energies of phosphorus (P)-related complex defects, P-hydrogen (H) and P-vacancy (V), in crystal diamond. The binding energies of P-H are found to be $2:6 eV and $1:3 eV for dissociation into neutral constituents P-H ! P 0 þ H 0 and ionized ones P-H ! P þ