Polytype stability in nitrogen-doped PVT—grown 2″—4H–SiC crystals

Rost, H.-J.; Doerschel, J.; Irmscher, K.; Roßberg, M.; Schulz, D.; Siche, D.

doi:10.1016/j.jcrysgro.2004.11.018

Cited by 23 publications

(22 citation statements)

References 6 publications

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“…2-5, N atom generally substitutes for C to transform 4H or 6H to 3C while 4H-SiC appears with N occupying for Si-vacancy under C-rich condition. This is qualitatively consistent with experimental results [6][7][8][9].…”

Section: Contributedsupporting

confidence: 92%

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Systematic theoretical investigations for the polytypism in SiC

Akiyama

Nakamura

2013

Phys. Status Solidi C

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SiC polytypes in bulk form is systematically investigated using ab initio pseudopotential approach for the total energy calculations in four structures such as 3C (zinc blende), 6H, 4H, and 2H (wurtzite) structures with vacancy and nitrogen doping. Our calculated energy differences ΔE among four structures reveal that 3C and 4H are favorable for prefect SiC. The ΔE for SiC with vacancy suggests the most stable structures such as 6H with Si‐vacancy and 4H with C‐vacancy. The calculated vacancy formation energies suggest that C‐rich condition prefers 6H whereas 4H is favored under Si‐rich condition. Furthermore, nitrogen substituting for carbon and silicon respectively stabilizes 3C and 4H. These calculated results are consistent with experimental findings. The destabilization due to the vacancy formation and stabilization due to nitrogen of 3C‐SiC are discussed by bond charge calculations and our simple formula of ΔE. It is found that vacancy formation inducing large deficit of bond charges favors 6H‐ and 4H‐SiC and nitrogen‐doping increasing bond charges stabilizes 3C‐SiC. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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Section: Contributedsupporting

confidence: 92%

“…In 4H-SiC single crystals grown by physical vapor transport, however, as long as N-doping was maintained no polytype changes were found [9].…”

mentioning

confidence: 94%

Systematic theoretical investigations for the polytypism in SiC

Akiyama

Nakamura

2013

Phys. Status Solidi C

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“…A contradictory result, however, has been reported that nitrogen doping in SiC crystals prefers polytypes with a larger hexagonality. It was shown [10][11][12] that nitrogen doping during PVT growth of SiC stabilizes 4H polytype rather than 6H and 15R polytypes; the observed 4H preference has been attributed to a relative enrichment at the growing surface with atoms occupying the carbon sites of SiC crystals [11].…”

Section: Introductionmentioning

confidence: 99%

Investigation of heavily nitrogen-doped n+ 4H–SiC crystals grown by physical vapor transport

Ohtani

Katsuno

Nakabayashi

et al. 2009

Journal of Crystal Growth

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“…The band gap range is 2.4 eV for cubic polytype [12] and 3.4 eV for the pure hexagonal polytype (2H-SiC) [13]. The most important factors influencing the appearance of different polytype structures are: (i) the substrate temperature, (ii) the super-saturation criterion, (iii) the surface diffusion, (iv) the strain state, and (v) the impurities [14].…”

Section: Introductionmentioning

confidence: 99%