Density functional theory calculations for estimation of gettering sites of C, H, intrinsic point defects and related complexes in Si wafers

Shirasawa, Sho; Sueoka, Koji; Yamaguchi, Tadashi; Maekawa, Kazuyoshi

doi:10.1016/j.mssp.2016.01.001

Cited by 27 publications

(30 citation statements)

References 11 publications

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“…Table summarizes the E b of the most stable structures calculated by Si 64‐atom and 216‐atom cubic cells. E b obtained by the previous studies are also summarized . It is found that, for (i) C s + I → C i , (ii) V + V → V − V , (iii) C i + O i → C i − O, (iv) V + O i → V − O i , (v) C i + C s → C i − C s , (vi) P + V → V –P, (vii) P + C i → P–C i , the calculated E b well agreed with that obtained in the previous studies in the range of 0.3 eV.…”

Section: Resultssupporting

confidence: 84%

“…On the basis of these results, we performed calculations related to the structural changes of lifetime‐control defects; the interaction of the candidate complexes, found by (1) and (2), with V or P composed of lifetime‐control defects. As it will be cited and compared in this paper, a number of DFT calculations have been performed for the various defects related to vacancy, phosphorous, oxygen and carbon etc in Si crystals . However, from the viewpoint of the influence on lifetime control defects, systematic calculations have not been reported to clarify the candidates to affect the lifetime‐control defects.…”

Section: Introductionmentioning

confidence: 99%

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Density Functional Theory Study on Defect Behavior Related to the Bulk Lifetime of Silicon Crystals for Power Device Application

Tsuchiya

Sueoka

Yamamoto

2019

Physica Status Solidi (a)

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Among the insulated‐gate bipolar transistors (IGBTs) and PIN junction diodes, there are devices that the recombination centers, namely lifetime‐control defects, are introduced into phosphorus (P) doped n‐type silicon (Si) crystals by electron beam irradiation. The lifetime‐control defects are considered as they form deep levels such as the vacancy–vacancy (V–V) pair and vacancy–phosphorus (V–P) pair. In the case of using Czochralski Si wafers, it is considered that some pairs of carbon (C), oxygen (O), and their complexes are believed to have a negative impact to the lifetime‐control defects. In this study, density functional theory (DFT) calculations are performed to understand the formation behavior of lifetime‐control defects and the formation behavior of complexes composed of C and O atoms believed to interact with lifetime‐control defects. On the basis of these results, DFT calculations related to the structural change of lifetime‐control defects are performed. The most important result is that instead of the interstitial carbon–substitutional carbon (Ci–Cs) pair, the interstitial Ci atom and interstitial carbon–interstitial oxygen (Ci–Oi) pair are the strong candidates to affect controllability of lifetime by interacting with V composed of lifetime‐control defects.

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Section: Resultssupporting

confidence: 84%

Section: Introductionmentioning

confidence: 99%

Density Functional Theory Study on Defect Behavior Related to the Bulk Lifetime of Silicon Crystals for Power Device Application

Tsuchiya

Sueoka

Yamamoto

2019

Physica Status Solidi (a)

Self Cite

View full text Add to dashboard Cite

show abstract

“…Shirasawa et al considered these issues from the view point of theoretical solid-state physics [53,54,55]. They conducted a first-principles calculation to determine the binding energies of metallic impurities and carbon complexes with intrinsic point defects.…”

Section: Resultsmentioning

confidence: 99%

Proximity Gettering Design of Hydrocarbon–Molecular–Ion–Implanted Silicon Wafers Using Dark Current Spectroscopy for CMOS Image Sensors

Kurita

Kadono

Shigematsu

et al. 2019

Sensors

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We developed silicon epitaxial wafers with high gettering capability by using hydrocarbon–molecular–ion implantation. These wafers also have the effect of hydrogen passivation on process-induced defects and a barrier to out-diffusion of oxygen of the Czochralski silicon (CZ) substrate bulk during Complementary metal-oxide-semiconductor (CMOS) device fabrication processes. We evaluated the electrical device performance of CMOS image sensor fabricated on this type of wafer by using dark current spectroscopy. We found fewer white spot defects compared with those of intrinsic gettering (IG) silicon wafers. We believe that these hydrocarbon–molecular–ion–implanted silicon epitaxial wafers will improve the device performance of CMOS image sensors.

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“…Shirasawa et al considered the above issues from the aspect of theoretical solid state physics. They obtained theoretical results by first principles calculation to determine the binding energies of metallic impurities (Ni, Fe, and Cu) with dopants (B and P) and their complexes with intrinsic point defects [vacancies (V) and self‐interstitials (I)] which were found to be the cause of the effectiveness of carbon cluster ion implantation gettering sinks.…”

Section: Resultsmentioning

confidence: 99%

Proximity gettering technology for advanced CMOS image sensors using carbon cluster ion‐implantation technique: A review

Kurita

Kadono

Okuyama

et al. 2017

Physica Status Solidi (a)

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A new technique is described for manufacturing advanced silicon wafers with the highest capability yet reported for gettering transition metallic, oxygen, and hydrogen impurities in CMOS image sensor fabrication processes. Carbon and hydrogen elements are localized in the projection range of the silicon wafer by implantation of ion clusters from a hydrocarbon molecular gas source. Furthermore, these wafers can getter oxygen impurities out‐diffused to device active regions from a Czochralski grown silicon wafer substrate to the carbon cluster ion projection range during heat treatment. Therefore, they can reduce the formation of transition metals and oxygen‐related defects in the device active regions and improve electrical performance characteristics, such as the dark current, white spot defects, pn‐junction leakage current, and image lag characteristics. The new technique enables the formation of high‐gettering‐capability sinks for transition metals, oxygen, and hydrogen impurities under device active regions of CMOS image sensors. The wafers formed by this technique have the potential to significantly improve electrical devices performance characteristics in advanced CMOS image sensors.

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Density functional theory calculations for estimation of gettering sites of C, H, intrinsic point defects and related complexes in Si wafers

Cited by 27 publications

References 11 publications

Density Functional Theory Study on Defect Behavior Related to the Bulk Lifetime of Silicon Crystals for Power Device Application

Density Functional Theory Study on Defect Behavior Related to the Bulk Lifetime of Silicon Crystals for Power Device Application

Proximity Gettering Design of Hydrocarbon–Molecular–Ion–Implanted Silicon Wafers Using Dark Current Spectroscopy for CMOS Image Sensors

Proximity gettering technology for advanced CMOS image sensors using carbon cluster ion‐implantation technique: A review

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