Deep levels associated with impurities at the bond-centered interstitial site in Si

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Abstract
The trends in the deep energy levels of impurities occupying the bond-centered interstitial site in Si are predicted. The theory is compared with experiments for boron, and reasonable agreement is found for the energy and the wave-function component on the interstitial site; however, some disagreement with the data for the B deep-trap wave function's amplitude on the adjacent Si sites remains—indicating that the B interstitial may not lie near the bond-centered site as supposed and suggesting the need for further study of B in Si.