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- W2775883943 abstract "Abstract The electronic structure of Fe adsorbed g-C2N with different layers is investigated by first-principles calculations. The Fe1 and Fe2 represent the Fe adsorptions at C C and C N rings, and Fe11 and Fe121 adsorption sites are also considered. The Fe1 adsorbed g-C2N is metallic with layer from n = 1 to 4, and the maximum spin splitting is 515, 428, 46 and 133 meV. The band gap of Fe2 adsorbed g-C2N with different layers is 0, 0, 117 and 6 meV, and the maximum spin splitting is 565, 369, 195 and 146 meV, respectively. All of the Fe11 adsorbed g-C2N are metallic with layer from n = 1 to 4, and the maximum spin splitting is 199, 0, 83 and 203 meV. An indirect band gap of 215 meV appears in Fe121 adsorbed g-C2N at layer n = 3, and the maximum spin splitting is 283, 211, 304 and 153 meV, respectively. Our results show that the electronic structures of Fe adsorbed novel two-dimensional semiconductor g-C2N can be tuned by different layers. Moreover, the spin splitting of Fe2 adsorbed g-C2N decreases monotonically as g-C2N layer increases from n = 1 to 4, which will provide more potential applications in spintronic devices." @default.
- W2775883943 created "2018-01-05" @default.
- W2775883943 creator A5004701741 @default.
- W2775883943 creator A5043955143 @default.
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- W2775883943 date "2018-04-01" @default.
- W2775883943 modified "2023-09-23" @default.
- W2775883943 title "Tunable electronic structure and spin splitting in single and multiple Fe-adsorbed g-C2N with different layers: A first-principles study" @default.
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- W2775883943 doi "https://doi.org/10.1016/j.jpcs.2017.12.041" @default.
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