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材料科学研究

《材料科学研究》(Research of Materials Science) 是IVY出版社旗下的一本关注材料科学及工艺技术发展的国际期刊,是评述材料学理论与现代工业技术相结合的综合性专业学术刊物。主要刊登有关材料学科理论、工艺,及其在自然科学、工程技术、经济和社会等各领域内的最新研究进展的学术性论文和评论性文章,报道材料学科领域内的最新科研成果,旨在为该领域内的专家、学者、科研人员提供一个良好的传播、分享和探讨材料学科理论及技术发展的交流平台,反映学术前沿水平,促进学术交流,推…… 【更多】 《材料科学研究》(Research of Materials Science) 是IVY出版社旗下的一本关注材料科学及工艺技术发展的国际期刊,是评述材料学理论与现代工业技术相结合的综合性专业学术刊物。主要刊登有关材料学科理论、工艺,及其在自然科学、工程技术、经济和社会等各领域内的最新研究进展的学术性论文和评论性文章,报道材料学科领域内的最新科研成果,旨在为该领域内的专家、学者、科研人员提供一个良好的传播、分享和探讨材料学科理论及技术发展的交流平台,反映学术前沿水平,促进学术交流,推进材料学理论和工艺技术的快速发展。

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Paper Infomation

Magnetic Defect in Phosphorene Nanoribbons

Full Text(PDF, 358KB)

Author: Qimin Cheng, Wei Sheng, Lingxi Wu, Chun Hu

Abstract: Two dimensional few-layer black phosphorus crystal structures have recently been fabricated and have demonstrated great potential in electronic applications. Defects are inevitably present in materials and always can affect their properties. In this work, we employed first principles density functional theory calculations to study the quantum confinement effects on the electronic properties of the phosphorene nanoribbons (PNR)single and double SV- (5/9) vacancy defects. We find that these defects are all created quite easily in phosphorene nanoribbons. We find that these defects are all quite easily to deal with in phosphorene with higher areal density. With SV (5/9) existing, introduces unoccupied localized states into phosphorene's fundamental band gap half metal character, close the band gap and causing a turning from semiconductor to conductor, which are verified with Band structure picture or Projected density of states and all these disparities due to the atom which possesses one suspension bond. Specifically, the Sv-(5/9) can introduce unoccupied localized states into phosphorene's fundamental band gap.

Keywords: Phosphorene Nanoribbons, Defect State, First Principles Calculation, Electronic Structure, Magnetic Materials

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