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Research of Materials Science

Research of Materials Science (Yearly) is an international comprehensive professional academic journal of Ivy Publisher, concerning the development of materials science theory and technology application, on the combination of materials science theory and modern industrial technology. The main focus of the journal is the academic papers and comments of latest materials science theory research improvement in the fields of nature science, engineerin... [More] Research of Materials Science (Yearly) is an international comprehensive professional academic journal of Ivy Publisher, concerning the development of materials science theory and technology application, on the combination of materials science theory and modern industrial technology. The main focus of the journal is the academic papers and comments of latest materials science theory research improvement in the fields of nature science, engineering technology, economy and science, report of latest research result, aiming at providing a good communication platform to transfer, share and discuss the theoretical and technical development of materials science theory for professionals, scholars and researchers in this field, reflecting the academic front level, promote academic change and foster the rapid expansion of materials science theory and technology research.

The journal receives manuscripts written in Chinese or English. As for Chinese papers, the following items in English are indispensible parts of the paper: paper title, author(s), author(s)'affiliation(s), abstract and keywords. If this is the first time you contribute an article to the journal, please format your manuscript as per the sample paper and then submit it into the online submission system. Accepted papers will immediately appear online followed by printed hard copies by Ivy Publisher globally. Therefore, the contributions should not be related to secret. The author takes sole responsibility for his views.

ISSN Print:2327-0470

ISSN Online:2327-0489

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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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