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Journal of Nanoparticle Research

, Volume 6, Issue 4, pp 363–368 | Cite as

Ab-initio Study of Small Silver Nanoclusters

  • B.K. Agrawal
  • Savitri Agrawal
  • Pankaj Srivastava
  • S. Singh
Article

Abstract

We explore the lowest energy structures and investigate the structural and electronic properties of small AgN (N = 1–10) clusters by employing an ab-initio self-consistent density functional method in the local density approximation. The calculation of binding energy, bond length and the energy difference of HOMO–LUMO states have been carried out in a large energy interval for different isomeric forms of Ag clusters. The cluster binding energies increases rapidly with cluster size, which is consistent with the size dependence properties of clusters but our values are slightly higher than the other calculations.

electronic states Ag clusters bond length binding energy HOMO–LUMO gap structures 

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Copyright information

© Kluwer Academic Publishers 2004

Authors and Affiliations

  • B.K. Agrawal
    • 1
  • Savitri Agrawal
    • 1
  • Pankaj Srivastava
    • 2
  • S. Singh
    • 1
  1. 1.Physics DepartmentAllahabad UniversityAllahabadIndia
  2. 2.Department of Applied PhysicsMadhav Institute of Technology & ScienceGwaliorIndia

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