• U Paliwal

      Articles written in Bulletin of Materials Science

    • Electronic properties and charge density of Be𝑥Zn1−𝑥Te alloys

      C B Swarnkar U Paliwal N N Patel K B Joshi

      More Details Abstract Fulltext PDF

      Electronic band structure calculations are performed for the Be𝑥Zn1−𝑥Te (0 ≤ 𝑥 ≤ 1 in steps of 0.2) alloys following the empirical pseudopotential method. The alloying effects are modelled through the modified virtual crystal approximation. Throughout the composition, valence band maximum resides at the 𝛤 point. The conduction band minimum, however, shifts from 𝛤 to 𝑋 point of symmetry when 𝑥 = 0.27. The observed crossover from direct to indirect bandgap is well in accordance with the experimental observations. Effect of alloying on the density of states is also discussed. The charge density distribution along a few major planes is computed and discussed. The electronic band structure related parameters like bandwidths, bandgaps and ionicity are reported and compared with experimental data wherever available. We also give estimates of cohesive energy and bulk modulus for the alloys.

  • Bulletin of Materials Science | News

    • Dr Shanti Swarup Bhatnagar for Science and Technology

      Posted on October 12, 2020

      Prof. Subi Jacob George — Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru
      Chemical Sciences 2020

      Prof. Surajit Dhara — School of Physics, University of Hyderabad, Hyderabad
      Physical Sciences 2020

    • Editorial Note on Continuous Article Publication

      Posted on July 25, 2019

      Click here for Editorial Note on CAP Mode

© 2021-2022 Indian Academy of Sciences, Bengaluru.