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The di‐interstitial in silicon: Electronic properties and interactions with oxygen and carbon impurity atoms
Author(s) -
Gusakov Vasilii E.,
Lastovskii Stanislau B.,
Murin Leonid I.,
Tolkacheva Ekaterina A.,
Khirunenko Lyudmila I.,
Sosnin Mikhail G.,
Duvanskii Andrei V.,
Markevich Vladimir P.,
Halsall Matthew P.,
Peaker Anthony R.,
Kolevatov Ilia,
Ayedh Hussein M.,
Monakhov Edouard V.,
Svensson Bengt G.
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.201700261
Subject(s) - silicon , impurity , acceptor , oxygen , valence (chemistry) , interstitial defect , atomic physics , carbon fibers , binding energy , chemistry , electronic structure , materials science , crystallography , condensed matter physics , doping , computational chemistry , physics , optoelectronics , organic chemistry , composite number , composite material
New experimental and theoretical results on the silicon di‐interstitial (I 2 ) and its interactions with oxygen and carbon impurity atoms in Si crystals are reported. Electronic structure calculations indicate that I 2 has an acceptor and a donor level in the gap, which are close to the conduction and the valence band edges, respectively. Experimental results, which support the theoretically predicted high mobility of I 2 , are discussed. It is argued that mobile I 2 can be trapped by oxygen and carbon impurities. The I 2 O center has a donor level at E v +0.09 eV. Two absorption bands at 936 and 929 cm −1 are assigned to the local vibrational modes of the I 2 O defect in the neutral and positively charged states, respectively. The binding energy of I 2 O relative to the separated I 2 and O i species is 0.22 eV. The disappearance of the I 2 O complex upon thermal annealing occurs in the temperature range 50–100 °C and is accompanied by the introduction of another defect, which gives rise to two hole emission signals from energy levels at E v +0.54 and E v +0.45 eV. It is argued that these levels are related to a complex consisting of interstitial carbon and interstitial silicon atoms (C i I). The stable configurations of the C i I pair have been found.