• K SINA

      Articles written in Bulletin of Materials Science

    • Fluorite-type phase of TiO$_2$ (co)-doped with (Co, Nb and Ru): first-principles calculations

      K SINA R RAMI L B DRISSI R AHL LAAMARA

      More Details Abstract Fulltext PDF

      In this work, the effect of cobalt, niobium and ruthenium, as single and double impurities, on the structural, magnetic and electronic properties of titanium dioxide (TiO$_2$) is investigated on the basis of the Korringa Kohn Rostoker (KKR) method in combination with the coherent potential approximation (CPA). The exchange-correlation term is addressed within the generalized gradient approximation (GGA). The densities of states demonstrate a clear development of half-metallic (HM) behaviour with high spin polarization at the Fermi level (up to 100%) for the case of doping with cobalt. Furthermore, co-doping (Nb, Ru) increases the Curie temperature of TiO$_2$ to the maximum values of 542 and 440 K reached for Nb and Ru co-doped TiCoO$_2$, respectively. In these compounds, the super-exchange and doubleexchange interaction mechanisms explain the stability of ferromagnetic (FM) and anti-ferromagnetic (AFM) orders. Ourfindings confirm that these new materials have an enhanced potential for spintronic devices.

  • 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.