By Stephen J. Pearton Ph. D., James W. Corbett Ph. D., Professor Michael Stavola Ph. D. (auth.)
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Extra resources for Hydrogen in Crystalline Semiconductors
39]. 40-41]. There are known to be at least eight different thermal donor species formed at 450 C annealing, presumably as a result of additional oxygen agglomeration. 42-43]. It has been demonstrated by a number of researchers that both the 450 C thermal donors and the new donors are passivated by association with atomic hydrogen. 8 shows capacitance and current DLTS spectra from N-type, CZ-grown Si annealed at 450 C for 18 hours to form the thermal donors. 10 15 cm- 3 ). This enabled standard capacitance or current DLTS analysis.
60]. By contrast, in the shallower near-surface region the apparent diffusivity is approximately a factor of twenty less, and the passivated boron requires annealing temperatures above 140 C to become reactivated. These observations may be related to the presence of two configurations of boron-hydrogen complexes in the Si. The more stable configuration we assume is one in which the hydrogen is located at a near Bond-Centered (BC) position between the boron and a neighboring Si atom. The other configuration is one in which in which the hydrogen is at an Anti-Bonding (AB) site along the (111) direction.
The donor-Si-H configuration was almost 1 eV lower in energy than the H-donor-Si complex. 81]. This would be expected for hydrogen occupying an AB site in the former case and a crowded Be site in the latter case. Amore Bonapasta et al. 82] also found that the AB-Si site was the most stable for hydrogen passivating a donor. Denteneer et al. 83] reported that hydrogen can reside slightly off the bond axis, which is consistent with the IR data of Stavola et al. 84]. 85] postulated that in n-type Si the formulation of a metastable diatomic complex labelled H; with hydrogen atoms occupying Be and Td sites along the  axis is relatively stable.