Stability and Defect Reaction of Two Hydrogen-Carbon Complexes in Silicon

Kamiura, Yoichi; Tsutsue, M.; Hayashi, Makoto; Yamashita, Yuichi; Hashimoto, Fumio

doi:10.4028/www.scientific.net/msf.196-201.903

Cited by 8 publications

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“…Recent DLTS experiments [50][51][52]4 suggested that hydrogen can be trapped by C s , forming the E3 defect with an 0/ϩ level at E c Ϫ0.15 eV. The presence of both C and H in the defect was inferred from the variation in the trap concentration with ͓C͔ and ͓H͔.…”

Section: Previous Work On C S -H Complexesmentioning

confidence: 99%

“…These results are consistent with the tentative assignment of E3 and H1 to the (C s H BC )Si and (H AC C s )Si structures, respectively. 4 The binding energy of neutral H with C s is found to be 1.01 eV by comparing the energies of the complex with its dissociated constituents using a 132-atom cluster. In the dissociated form a neutral H lies at a BC site remote from C s .…”

Section: A C S -H Defectmentioning

confidence: 99%

“…This defect has been associated with the E3 and H1 levels detected by deep-level transient spectroscopy ͑DLTS͒. 4 Of greater stability is the defect formed when two H atoms are trapped as in a molecule or H 2 * near C s -although there is no evidence for these latter defects at present.…”

Section: Introductionmentioning

confidence: 99%

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Interaction of hydrogen with substitutional and interstitial carbon defects in silicon

1998

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An ab initio cluster method is used to investigate substitutional, C s , and interstitial, C i , carbon defects in silicon complexed with hydrogen. We find that the binding energy of neutral H with C s is 1.01 eV, and that the defect is bistable. In the positive and neutral charge states H lies near the center of a C-Si bond, and is antibonded to C in the negative charge state. A second H atom can be trapped in a H 2 * defect. H forms stronger bonds with interstitial C i . In the C i -H defect, the binding energy of H is 2.8 eV, and two low-energy structures have almost degenerate energies. These consist of a bond-centered Si-(C i -H͒-Si defect and a ͗100͘-oriented C i -Si split interstitial with H bonded to C i . The calculated barrier for conversion between the two stable structures is very low, ϳ0.3 eV, implying that the defect migrates rapidly, and readily reacts with other defects or impurities present. Two possible reactions are considered: the first is with another H and the second with C s . The defect is completely passivated in the former while the stable form of the latter consists of a ͗100͘ C-C dicarbon interstitial, where one radical is passivated by H. The calculated symmetry and the local vibrational modes are in excellent agreement with those experimentally observed for the T photoluminescent center. Finally, a further reaction involving the T center and a second H atom is considered, and is found to lead to the elimination of electrical activity.

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Section: Previous Work On C S -H Complexesmentioning

confidence: 99%

Section: A C S -H Defectmentioning

confidence: 99%