Interstitial hydrogen in cubic and hexagonal SiC

Roberson, Mark A.; Estreicher, Stefan K.

doi:10.1103/physrevb.44.10578

Cited by 30 publications

(5 citation statements)

References 34 publications

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“…These results indicate that it is hardly possible for He impurities to occupy the H, T 0 si and T 0 c sites. Our results are further confirmed by the fact that the most stable interstitial site for a hydrogen impurity is the R site in the 6H-SiC host lattice [37], We notice that both He and hydrogen have the same energetically preferred interstitial sites in several other materials (e.g., vanadium alloys [38,39], beryllium [40,41] and iron [42]). Understanding the most stable interstitial site of He is the first step for understanding the trapping behavior of multiple He impurities inside small voids.…”

Section: Interstitial He In Bulk Sicsupporting

confidence: 84%

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He–vacancy interaction and multiple He trapping in small void of silicon carbide

Zhang

et al. 2015

Journal of Nuclear Materials

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Section: Interstitial He In Bulk Sicsupporting

confidence: 84%

“…Fig. 2 shows ten possible interstitial sites in the 6H-SiC host lattice [37]. The 6H-SiC lattice has two nonequivalent tetrahedral (T) sites: T si has four nearest neighbors (NN) Si atoms and six second NN C atoms, and the reverse holds for T c .…”

Section: Interstitial He In Bulk Sicmentioning

confidence: 99%

He–vacancy interaction and multiple He trapping in small void of silicon carbide

Zhang

et al. 2015

Journal of Nuclear Materials

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“…A similar mechanism was confirmed in polytypes 4H and 15R [47]. However, theoretical work pointed on the interstitials hydrogen site in cubic as well as hexagonal crystals [48].…”

Section: Hydrogen Properties In Sicsupporting

confidence: 62%

The Role of Atmospheric Elements in the Wide Band-Gap Semiconductors

2019

Acta Phys. Pol. A

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The paper addresses the role of ambient elements (H, C, N and O) in the wide-bandgap semiconductor compounds. Their prevalence in the atmosphere imposes limitations not only on the purity of the materials under processing but, also, on the detection and measurement of the content of these species. Specifically, a review of electrical and optical properties, based on the available literature, is presented for: hydrogen in GaN, ZnO and SiC, carbon in GaN and ZnO, nitrogen in ZnO and SiC and oxygen in GaN and SiC. Further, the refinements of the SIMS (Secondary Ions Mass Spectrometry) analytical technique, aiming to improve the sensitivity and detection limit of atmospheric elements, are described in detail. These include the choice of primary beam type and current, type of secondary single or cluster ions, geometry and vacuum conditions. Finally, the evaluated so-called RSF parameters (Relative Sensitivity Factors) are given for each atom-semiconductor pair, converting raw data to the absolute value of concentration.

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“…The interstitial H atom was initially inserted at high geometric symmetry sites of TSi, TC and Hex as done to the SIA. Moreover, the bond center (BC) site between nearest Si and C atoms and AB C site were also taken into consideration [25,43]. The calculated solution energies of H atoms at various interstitial sites are calculated using equation (2) and presented in table 2.…”

Section: Energetic Properties Of Interstitial Hydrogen In 3c-sicmentioning

confidence: 99%

The effect of irradiation-induced point defects on energetics and kinetics of hydrogen in 3C-SiC in a fusion environment

et al. 2017

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3C-SiC is a promising candidate for structural material of nuclear fusion reactors, and H, T, and D irradiation often causes undesired volume swelling, bubble formation, and degradation of the mechanical properties of the material. However, the underlying mechanisms of these processes are still not well understood. We thereby carried out systematical first-principles calculations to investigate the interaction of H with irradiation-induced point defects in 3C-SiC. Our results show that both self-interstitial atoms and vacancies can act as trap sites for H, which can effectively influence the retention of H and its isotopes in 3C-SiC. Selfinterstitial C and Si atoms can trap up to six and five H atoms, respectively. A C vacancy can trap up to eight H atoms with two H 2 molecules formed, while a Si vacancy can trap only four H atoms with no H 2 molecule formation. The accumulation of H atoms in vacancy forming vacancy-hydrogen clusters may act as the nucleation site for bubbles or blisters in 3C-SiC. The accumulation of H in a vacancy can result in the instability of atoms around the vacancy, which may result in the growth of vacancy-hydrogen clusters to blisters or bubbles. Both Si and C vacancies can significantly slow down the diffusion of H, and energy barriers of H diffusion from the Si and C vacancies reach respectively up to 3.40 and 2.13 eV, which are much higher than that in bulk. These results explain why the calculated diffusion activation energy of H in perfect 3C-SiC is much smaller than experimental values. Our results are helpful for understanding the micro-mechanism of H retention and bubble formation experimentally observed in 3C-SiC.

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Interstitial hydrogen in cubic and hexagonal SiC

Cited by 30 publications

References 34 publications

He–vacancy interaction and multiple He trapping in small void of silicon carbide

He–vacancy interaction and multiple He trapping in small void of silicon carbide

The Role of Atmospheric Elements in the Wide Band-Gap Semiconductors

The effect of irradiation-induced point defects on energetics and kinetics of hydrogen in 3C-SiC in a fusion environment

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