• S Auluck

      Articles written in Pramana – Journal of Physics

    • Mass enhancement factor for Pd and Pt

      A K Bordoloi S Auluck

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      We report calculations of the mass enhancement factors for Pd and Pt by comparing the physical quantities using the interpolation scheme band structure, with the corresponding experimental data. Our results are compared with other theoretical calculations.

    • Fermi surface of the noble metals

      Rajeev Ahuja A K Solanki T Nautiyal S Auluck

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      We report calculations of extremal areas of four Fermi surface (FS) orbits of the noble metals using the linear muffin tin orbital method in the atomic sphere approximation. Our calculations indicate that thel = 3 potential parameters and increase in the number of k-points in the Brillouin zone (BZ) summation from 240 to 916 have no significant effect on the FS. All calculations were performed self-consistently including up tol = 2 potential parameters and with 240 k points in the BZ summation. Calculations were performed with the exchange, correlation potentials (XCP) of Barth-Hedin, Barth-Hedin modified by Janak, SlaterXα, and the Vosko-Wilk-Nussair. Results compared with other theoretical calculations indicate that none of the above XC potentials give an accurate representation of the FS for all the noble metals. We feel that the inclusion of the non-locality of XCP may give a better account of the FS geometry.

    • Fermi surface characteristics and enhancement factors for tantalum

      A K Solanki R Ahuja S Auluck

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      We present calculations of the extremal areas of Fermi surface orbits in the bcc transition metal tantalum usingab initio linear muffin tin orbital method in the atomic sphere approximation. The calculations demonstrate the need to include relativistic corrections for a good representation of the Fermi surface. Self-consistent calculations are performed using various exchange-correlation potentials. The calculations indicate that Barth-Hedin-Janak exchange provides the best agreement with the experiment. Enhancement factors are also calculated using the BHJ exchange-correlation potential. These are compared with experimental results as well as with some of the available theoretical calculations.

    • Optical properties of 1T and 2H phase of TaS2 and TaSe2

      Sangeeta Sharma S Auluck M A Khan

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      We have calculated the anisotropic frequency dependent dielectric function for the 1T and 2H phases of TaS2 and TaSe2 using the linear muffin tin orbital method within the atomic sphere approximation. We find significant anisotropy in the frequency dependent dielectric function for the 1T and 2H phases at low energies (less than 4 eV). Unfortunately there are no experimental data to compare with. The averaged dielectric function agrees with the available experimental data except that the calculated peak heights are underestimated and shifted to higher energies by 1–2eV.

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