• P K Khowash

      Articles written in Pramana – Journal of Physics

    • Electronic structure and bonding in NaLi, LiMg and LiAl alloys: a MS Xα SCF approach

      P K Khowash

      More Details Abstract Fulltext PDF

      A MS Xα SCF method has been initiated to calculate the charge distribution, bonding properties and the density of states in NaLi, LiMg and LiAl alloys. No ionicity is seen in NaLi but a high covalency of different degree is detected in all the three alloys. The ionizations potentials calculated are 5.05, 5.5 and 5.58 eV respectively. Comparison with other calculations and experiments is found to be in fair agreement.

    • Electronic structure calculation of CuMn alloy

      P K Khowash D C Khan

      More Details Abstract Fulltext PDF

      We have used a fully self-consistent multiple scatteringXα method within the local density formalism to study the charge distribution, bonding characteristics and the density of states in CuMn alloy. The charge distribution shows almost no ionic character but significant hybridization ofs andd states is observed near the Fermi level. The crystal field splittings, ionization energies and the excitation energies are calculated and compared with experiments wherever available.

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