Lookup NU author(s): Dr Jose Coutinho,
Dr Michael Shaw,
Professor Patrick Briddon
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Spin-polarized density functional calculations are carried out on Er and Er-oxygen defects in crystalline Si. We find that the interstitial site is favored but the diffusion barrier of Eri is only 1.9 eV, and inevitably Eri forms complexes with impurities and intrinsic defects following postimplantation anneals. Er forms many defects with oxygen, and we argue that optically inactive Er2Si2O7 precipitates coexist alongside active Eri-On clusters. The latter are unstable when neutral and possess a range of second donor levels around Ec-0.1eV. We suggest that those with either deep levels or very shallow ones are inefficient room-temperature optical centers. The Eri-O3 defect has a donor level and symmetry consistent with observations of the room-temperature luminescence intensity and low-temperature crystal-field splitting. © 2005 The American Physical Society.
Author(s): Prezzi D, Eberlein TAG, Jones R, Filhol JS, Coutinho J, Shaw MJ, Briddon PR
Publication type: Article
Publication status: Published
Journal: Physical Review B
ISSN (print): 1098-0121
ISSN (electronic): 1550-235X
Publisher: American Physical Society
Notes: Article no. 245203
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