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    • Keywords


      Phonon dispersion; second ordered elastic constants; d-band electrons

    • Abstract


      Ashcroft’s analytic bare ion pseudopotential form factor with a modified Hartree dielectric function has been employed to represent the temperature dependent interionic potential. This potential includes both direct ion-ion interaction and indirect ion-electron-ion interaction with and without the effects of ‘d’ bands, in some scantily studied complexbcc metals vizbcc Ti, Zr and Hf. The ab initio radial and tangential force constants extending out to 15th nearest neighbours are computed for the metals. The said potential is used for predicting the binding energy, elastic constants and phonon dispersion of the above mentioned metals and the results are satisfactorily compared with the corresponding measured data.

    • Author Affiliations


      S K Saxena1 R M Agrawal1 R P S Rathore1 2

      1. Department of Physics and Computer Science, Dayalbagh Educational Institute, Dayalbagh, Agra - 282 005, India
      2. Department of Physics, R.B.S. College, Agra - 282 002, India
    • Dates

  • Pramana – Journal of Physics | News

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      Posted on July 25, 2019

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