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Theory of a carbon‐oxygen‐hydrogen recombination center in n‐type Si
Author(s) -
Santos Paulo,
Coutinho José,
Öberg Sven,
VaqueiroContreras Michelle,
Markevich Vladimir P.,
Halsall Matthew P.,
Peaker Anthony R.
Publication year - 2017
Publication title -
physica status solidi (a)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.532
H-Index - 104
eISSN - 1862-6319
pISSN - 1862-6300
DOI - 10.1002/pssa.201700309
Subject(s) - hydrogen , oxygen , silicon , carbon fibers , acceptor , impurity , recombination , bistability , chemistry , hydrogen atom , diffusion , chemical physics , atomic physics , materials science , thermodynamics , physics , condensed matter physics , optoelectronics , biochemistry , alkyl , organic chemistry , composite number , composite material , gene
We have recently found that in‐diffusion of hydrogen into n‐type Si crystals containing oxygen and carbon impurities can result in the formation of powerful recombination centers (M. Vaqueiro‐Contreras et al., to appear in PSS RRL). Here, we describe a combination of first‐principles calculations and electrical measurements to investigate the composition, structure, electrical activity and recombination mechanism of a carbon‐oxygen‐hydrogen complex (COH) in Si. We found a defect comprising a carbon‐oxygen complex connected to an H atom whose location depends on the charge state of the complex, and showing a calculated acceptor level at E v + 0.3 eV, a few meV away from the observations. Bistable carbon–oxygen–hydrogen complex in silicon. Carbon, oxygen, hydrogen, and silicon atoms are shown in gray, red, black, and white, respectively.