2018
DOI: 10.1103/physrevb.97.045203
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Dangling bond defects in SiC: An ab initio study

Abstract: We report first-principles microscopic calculations of the properties of defects with dangling bonds in crystalline 3C-SiC. Specifically, we focus on hydrogenated Si and C vacancies, di-vacancies and multi-vacancies. The latter is a generic model for an isolated dangling bond within a bulk SiC matrix. Hydrogen serves to passivate electrically active defects to allow the isolation of a single dangling bond defect. We used hybrid density functional methods to determine energetics and electrical activity. The pre… Show more

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Cited by 11 publications
(5 citation statements)
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“…Similar dangling bond appears when phosphorene is doped by group VII dopants (F, Cl) [52]. Such dangling bonds can modify the properties of semiconductors such as hydrophilicity [76], leakage currents [77], etc.…”
Section: Structural Electronic (Spin) and Optical Properties Of Prist...mentioning
confidence: 80%
“…Similar dangling bond appears when phosphorene is doped by group VII dopants (F, Cl) [52]. Such dangling bonds can modify the properties of semiconductors such as hydrophilicity [76], leakage currents [77], etc.…”
Section: Structural Electronic (Spin) and Optical Properties Of Prist...mentioning
confidence: 80%
“…Figure 2 show in schematic band diagram of a-Si: H. The continuous state distribution in the pseudo gap, tail states, and defect states, is acting as a charge reservoir which can be filled up and emptied. Dangling bonds, which are unoccupied valence electrons that are not engaging in the bonding with their nearest neighboring atom, are the most significant and prevalent defect type that determines the performance of a-Si solar cells [13]. Defects in the band gap caused by dangling bonds act as possible trap sites and recombination centers and significantly lower the mobility and lifespan of charge carriers.…”
Section: Resultsmentioning
confidence: 99%
“…Pada laju Boron 2 sccm terlihat pada warna biru, nilai konduktivitasnya meningkat seiring dengan bertambahnya laju Hidrogen. Hasil yang berbeda tampak pada laju Boron 4 sccm terlihat pada Gambar merah, nilai konduktivitasnya menurun seiring dengan meningkatnya laju Hidrogen (Tuttle, 2018). Gambar 6.…”
Section: Konduktivitas Listrikunclassified