Density-functional theory study on electronic structure and optical property of 6H-SiC

Zhang, F. C.; Cui, Hongwei; Ruan, Xing Xiang; Zhang, W. H.

doi:10.1179/1432891715z.0000000001444

Cited by 3 publications

(1 citation statement)

References 13 publications

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“…2 respectivly. The obtained results given in Table I were compared with results data reported in Reference [7,8] in relation with band gap , the lattice constant and hexagonal ratio c/a.…”

Section: The First Sectionmentioning

confidence: 82%

Structural, Electronic and Optical Properties of 6H-SiC and 3C-SiC with the Application in Solar Cell Devices

Taibi

Abid²

2022

MSF

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6H-SiC and 3C-SiC structural, electronic and optical properties have been calculated by applying the principles of density functional theory based on the plane wave pseudo-potential. This method is implanted in Wien2k Software. Structural parameters are calculated at the level of Perdew Burke and Ernzerhof (PBE) parameterized generalized gradient approximation (GGA). The obtained results given in Table I were compared to the experimental data in relation with the lattice constant hexagonal ration c/a and the band gap value parameters of 6H-SiC and 3C-SiC, there was a very accurate concordance. The superior gap value and the good absorption coefficient drives us to realize a p+nn+ solar cell device using SILVACO Software. The 3C-SiC material resulted in a considerable performance for photovoltaic applications.

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“…2 respectivly. The obtained results given in Table I were compared with results data reported in Reference [7,8] in relation with band gap , the lattice constant and hexagonal ratio c/a.…”

Section: The First Sectionmentioning

confidence: 82%