Behavior of Si Interstitials and Boron-Interstitial Pairs at the Si/SiO2 Interface
Keyword(s):
ABSTRACTUsing density functional theory calculations within the generalized gradient approximation, we have investigated the structure, energetics, bonding, and diffusion behavior of Si interstitials and boron-interstitial pairs at the Si/SiO2 interface. We find that interstitials are significantly stabilized at the Si/SiO2 interface and prefer to reside on the SiO2 side rather than the Si side. Due to the interstitial stabilization, boron-interstitial pairs are likely to be easily dissociated in the vicinity of the Si/SiO2 interface. This study provides valuable insight into interstitial annihilation and boron precipitation at the interface.
2019 ◽
Vol 18
(01)
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pp. 1950006
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2012 ◽
Vol 137
(16)
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pp. 164105
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2012 ◽
Vol 535-537
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pp. 1291-1294
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2019 ◽
Vol 33
(5)
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pp. 1507-1512
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