Density functional study on electronic properties of P-doped spinel silicon carbon nitride |
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| Authors: | Yufen Zhang Xiufeng Cheng |
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| Institution: | a State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, PR China
b School of Biological Science, Nanyang Technology University, Nanyang Drive 60, Singapore 637551, Singapore |
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| Abstract: | We performed density functional calculations on the electronic properties of P-doped spinel silicon carbon nitride. When Si is replaced by C at the tetrahedral sites of P-doped c-Si3N4, the band gap can be adjusted, and an insulator-to-metal transition is predicted to occur at the C-to-Si ratio of 0.27. Finally, some possible examinations and potential applications for the large band-gap reduction are discussed. |
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| Keywords: | DFT Electronic properties Insulator-to-metal transitions P-doped spinel nitrides |
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