Authors
Zhong-Yi Lu, CJ Nicklaw, DM Fleetwood, RD Schrimpf, ST Pantelides
Publication date
2002/12/30
Journal
Physical review letters
Volume
89
Issue
28
Pages
285505
Publisher
American Physical Society
Description
Oxygen vacancies in have long been regarded as bistable, forming a Si-Si dimer when neutral and a puckered configuration when positively charged. We report first-principles calculations of O vacancies in amorphous supercells that unveil significantly more complex behavior. We find that the vast majority of O vacancies do not pucker after capture of a hole, but are shallow traps. The remaining vacancies exhibit two distinct types of puckering. Upon capturing an electron, one type forms a metastable dipole, while the other collapses to a dimer. A statistical distribution of O vacancies is obtained, and the implications for charge transport and trapping in are discussed.
Total citations
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Scholar articles
ZY Lu, CJ Nicklaw, DM Fleetwood, RD Schrimpf… - Physical review letters, 2002