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- W2022672977 endingPage "4929" @default.
- W2022672977 startingPage "4926" @default.
- W2022672977 abstract "Epitaxial silicon carbide is likely to contain hydrogen and vacancies ( V); therefore, V+nH complexes are likely to influence its electronic properties. Using ab initio calculations we show that neutral and positive H atoms are trapped by carbon vacancies ( V(C)) in three-center bonds with two Si neighbors. The double positive charge state of V(C)+H is not stable in equilibrium and in the triply positive state H binds only to one of the Si neighbors. At most two H atoms can be accommodated by a single V(C). The V(C)+nH complexes have donor character and exhibit rather atypical vibration modes for Si-H bonds. Occupation levels and spin distributions were calculated and compared for V(C)+H and V(C)." @default.
- W2022672977 created "2016-06-24" @default.
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- W2022672977 date "2000-05-22" @default.
- W2022672977 modified "2023-09-23" @default.
- W2022672977 title "Overcoordinated Hydrogens in the Carbon Vacancy: Donor Centers of SiC" @default.
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- W2022672977 doi "https://doi.org/10.1103/physrevlett.84.4926" @default.
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