Density functional study on electronic properties of P-doped spinel silicon carbon nitride

摘要：

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.

作者: Yufen Zhang Xian Zhao Xiufeng Cheng Yuguang Mu

作者单位: State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, PR China School of Biological Science, Nanyang Technology University, Nanyang Drive 60, Singapore 637551, Sin

会议类型: 国际会议

会议名称: The 5th International Conference of Molecular Simulations and Applied Informatics Technologies(第五届国际分子模拟与信息技术应用学术会议 ICMS&I)

会议地点: 武汉

会议语种:英文

页码: 59-62

在线出版日期: 2010-09-01（万方平台首次上网日期，不代表论文的发表时间）