1. Home
    2. Journals
    3. Pramana – Journal of Physics
    4. Volume 52
    5. Issue 3

    • Electronic structure and activation energy of hydrogen in NEG alloy using nonlinear response theory

      N Singh D K Avasthi A Tripathi

      Volume 52 Issue 3 March 1999 pp 333-340

    • Fulltext

       

        Click here to view fulltext PDF


      Permanent link:
      https://www.ias.ac.in/article/fulltext/pram/052/03/0333-0340

    • Keywords

       

      Electronic structure; activation energy; residual resistivity; self energy

    • Abstract

       

      Electronic structure of hydrogen in NEG alloy [Zr0.70V0.246Fe0.054] is calculated by using nonlinear response theory [Kohn and Sham,Phys. Rev.A140,1133 (1965)]. The configurational energy is calculated by assuming the ideal hcp structure for NEG alloy. The calculated configurational energy predicts that hydrogen prefers octahedral (0)-site in NEG alloy.s-Type shallow bound state of energy -1.580 x 10-5 Ryd. suggests that hydrogen does not form NEG hydride and it stays as a free ion in NEG alloy. This conclusion confirms the prediction of Tripathiet al.

    • Author Affiliations

       

      N Singh1 2 D K Avasthi1 2 A Tripathi1 2

      1. Department of Physics, M D University, Rohtak - 124001, India
      2. Nuclear Science Centre, Aruna Asaf Ali Marg, Post Box 10502, New Delhi - 110067, India

    • Dates

       
      Published
      March 1999
      Manuscript received
      24 October 1997
      Manuscript revised
      31 August 1998

  • Pramana – Journal of Physics | News

    • Editorial Note on Continuous Article Publication

      Posted on July 25, 2019

      Click here for Editorial Note on CAP Mode

© 2022-2023 Indian Academy of Sciences, Bengaluru.

Contact | Site index