TITLE

Localization of intrinsic defects in CaF[sub 2]–BaF[sub 2] superlattices

AUTHOR(S)
Kagimura, Ricardo; Chacham, H.; Schmidt, T. M.; Miwa, R. H.
PUB. DATE
November 2003
SOURCE
Applied Physics Letters;11/17/2003, Vol. 83 Issue 20, p4154
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
We perform first-principles calculations for the formation energies of fluorine self-interstitials (F[sub i][sup -]) and fluorine vacancies (V[sub F][sup +]) in CaF[sub 2]–BaF[sub 2] superlattices and in the corresponding bulk compounds. In dislocation-free (strained-layer) superlattices, the calculations show that both the F[sub i][sup -] and the V[sub F][sup +] defects are energetically more stable in the CaF[sub 2] layers than in the BaF[sub 2] layers. If the misfit stress in the superlattices is released (by dislocations, for instance), our results indicate that charge transfer between layers becomes energetically favorable with F[sub i][sup -] in the CaF[sub 2] layers and V[sub F][sup +] in the BaF[sub 2] layers. This is consistent with recent experiments. © 2003 American Institute of Physics.
ACCESSION #
11421596

 

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