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• W2256543575 abstract "This paper investigates the electronic and optical properties for pure and Ce3+-doped CaS crystals by using the first-principles total energy calculations. The results show that CaS:Ce has a direct band gap of 2.16 eV, and the top of the valence band is determined by S 3p states and the bottom of the conduction band is determined by Ce 4f states, respectively. Our results validate that the yellow emission from CaS:Ce is produced by doped cerium and the green emission quenches at 12.5% cerium concentration. The Ce-S bond shows more covalent character than the Ca-S bond." @default.
• W2256543575 created "2016-06-24" @default.
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• W2256543575 date "2010-11-01" @default.
• W2256543575 modified "2023-09-25" @default.
• W2256543575 title "Electronic and optical properties of pure and Ce ³⁺ -doped CaS single crystals: a first-principles prediction" @default.
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• W2256543575 doi "https://doi.org/10.1088/1674-1056/19/11/117103" @default.
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