• FAISAL IQBAL

      Articles written in Bulletin of Materials Science

    • First-principles structural, electronic, optical and bonding properties of scandium-based ternary indide system Sc$_5$T$_2$In$_4$ (T$=$Ni, Pd, Pt)

      SIDRA SHAFIQ ALTAF HUSSAIN MUHAMMAD NASIR RASUL SARDAR SIKANDAR HAYAT FAISAL IQBAL MUHAMMAD AMIR RAFIQ

      More Details Abstract Fulltext PDF

      The structural, electronic and optical properties of rare-earth, scandium-based compounds within the family of RE$_5$-T$_2$-In$_4$ (T$=$Ni, Pd, Pt) intermetallics are calculated by using density functional theory-based orthogonalized linear combination of atomic orbitals method. The studied compounds crystallize in orthorhombic structure with space groupPbam (No. 55). The electronic properties exhibit conducting features of all three compounds. Charge transfer and crystal strength analysis were carried out by computing bond order and effective charge. Regarding optical properties thecomplex dielectric function, optical conductivity and electron energy loss function have been assessed. All the three compounds demonstrate optically anisotropic behaviour for energy values up to 7.0 eV and turned towards isotropicnature at higher energy (>7.0 eV). Optical conductivity spectra designate that the compounds are optically active for visible to UV light. Two major peaks are observed in energy loss spectra, at 13.2 and 32.6 eV, which correspond toplasmonic resonance points. The interatomic bonding characteristics between distinct pair of atoms within each compound have also been elaborated in comprehensive manner.

  • 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.