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- W2513425435 abstract "Employing first principles within the framework of density functional theory, the structural properties, electronic structure, and magnetism of C-doped zincblende (cubic) GaN were investigated. The calculations were carried out using the pseudopotential method, employed exactly as implemented in Quantum ESPRESSO code. For GaC0.0625N0.9375 concentration, a metallic behavior was found. This metallic property comes from the hybridization and polarization of C-2p states and their neighboring N-2p and G-4p states." @default.
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- W2513425435 date "2016-08-01" @default.
- W2513425435 modified "2023-10-18" @default.
- W2513425435 title "DFT applied to the study of carbon-doped zinc-blende (cubic) GaN" @default.
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