Ab initio study of structural stability of small 3d late transition metal clusters: Interplay of magnetization and hybridization

著录项

• 来源
  《Physical review》 |2011年第7ptab期|p.075429.1-075429.8|共8页
• 作者

  Soumendu Datta; Mukul Kabir; Tanusri Saha-Dasgupta;

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• 作者单位

  Advanced Materials Research Unit and Department of Material Sciences, S.N. Bose National Centre for Basic Sciences, JD Block,Sector-Ill, Salt Lake City, Kolkata 700 098, India;

  Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA;

  Advanced Materials Research Unit and Department of Material Sciences, S.N. Bose National Centre for Basic Sciences, JD Block,Sector-Ill, Salt Lake City, Kolkata 700 098, India;

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• 原文格式 PDF
• 正文语种 eng
• 中图分类
• 关键词

  electronic structure of nanoscale materials: clusters; nanoparticles; nanotubes; and nanocrystals; electronic and magnetic properties of clusters; density functional theory; local density approximation; gradient and other corrections;

  机译：纳米级材料的电子结构：簇;纳米粒子纳米管纳米晶体;团簇的电子和磁性;密度泛函理论;局部密度近似;渐变和其他校正;