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      https://www.ias.ac.in/article/fulltext/boms/038/02/0425-0434

    • Keywords

       

      Os𝑛B(𝑛 = 11–20) clusters; structure stability; magnetic property.

    • Abstract

       

      The structure and magnetic properties of Os𝑛B(𝑛 = 11–20) clusters have been systematically investigated by using density functional theory within the generalized gradient approximation (GGA). For each size, the average binding energy per atom, the second-order differences of total energies, the dissociation energies and the formation energies are calculated to analyse the stability of clusters. Os12B, Os15B, Os17B and Os19B clustersare found to be more stable than other clusters. The B atom has little influence on Os𝑛B cluster stability. d electrons exhibit locality compared to s and p electrons in most cases. Os14B cluster has the strongest magnetism among all the clusters, and the local magnetic moment of B atom does little effect to the total magnetic moment.

    • Author Affiliations

       

      Xiu-Rong Zhang1 Min Luo2 Fu-Xing Zhang3 Xiang-Yu Zheng3 Gao-Kang Hu1

      1. School of Mathematics and Physics, Jiangsu University of Science and Technology, Zhenjiang 212003, China
      2. School of Environmental and Chemical Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003, China
      3. School of Materials Science and Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003, China
    • Dates

       
  • Bulletin of Materials Science | News

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