• Activation energy of hydrogen in Lu

    • Fulltext

       

        Click here to view fulltext PDF


      Permanent link:
      https://www.ias.ac.in/article/fulltext/pram/048/06/1095-1103

    • Keywords

       

      Induced charge density; impurity potential; spherical solid model potential; self energy; residual resistivity; activation energy

    • Abstract

       

      The impurity induced charge density is calculated in jellium by solving the Schrödinger equation self-consistently following the procedure of Manninen and Nieminen and using Kohn-Sham density functional formalism. The host-ion contribution is included through the spherical solid model potential (SSMP). The calculated activation energy 0.27 eV is found in good agreement with experimental value 0.28±0.02 eV. The estimated residual resistivity 1.02 µΩ cm/at% for Lu-H system using the resulting phase shifts agrees reasonably well with the observed value 1.75±0.10 µΩ cm/at%. The calculated configurational energy shows that hydrogen prefers tetrahedral(T)-sites over octahedral(O)-sites in Lu matrix. This has been confirmed by Bonnet experimentally. A very shallow value ofs-type bound state of energy −0.00316 Ryd predicts that there is no formation of lutetium hydride solution and H+ exists as a free ion in Lu matrix.

    • Author Affiliations

       

      N Singh1 B Kumar1

      1. Department of Physics, M. D. University, Rohtak - 124 001, India
    • Dates

       
  • Pramana – Journal of Physics | News

    • Editorial Note on Continuous Article Publication

      Posted on July 25, 2019

      Click here for Editorial Note on CAP Mode

© 2017-2019 Indian Academy of Sciences, Bengaluru.