• Electronic structure and optical properties of thorium monopnictides

    • Fulltext

       

        Click here to view fulltext PDF


      Permanent link:
      https://www.ias.ac.in/article/fulltext/boms/026/01/0165-0168

    • Keywords

       

      Ab initio calculation; electronic structure; optical properties.

    • Abstract

       

      We have calculated the electronic density of states (DOS) and dielectric function for the ThX (X = P, As and Sb) using the linear muffin tin orbital method within atomic sphere approximation (LMTO–ASA) including the combined correction terms. The calculated electronic DOS of ThSb has been compared with the available experimental data and we find a good agreement. The calculated optical conductivity for ThP and ThAs is increasing monotonically, while for ThSb a sharp peak has been found at 6.5 eV. Unfortunately there are no experimental data to compare with calculated optical properties, we hope our calculations will motivate some experimentalists.

    • Author Affiliations

       

      S Kumar1 S Auluck2

      1. Physics Department, Institute of Engineering and Technology, M.J.P. Rohilkhand University, Bareilly 243 006, India
      2. Department of Physics, Indian Institute of Technology, Roorkee 247 667, India
    • Dates

       
  • Bulletin of Materials Science | 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.