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      Articles written in Bulletin of Materials Science

    • Gd impurities effect on Co$_2$CrSi alloy: first-principle calculations

      I E YAHIAOUI A LAZREG Z DRIDI Y AL-DOURI B BOUHAFS

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      First-principle calculations have been performed to study Gd impurities doping effect on the physical propertiesof the Heusler half-metallic ferromagnet Co$_2$CrSi using the density functional theory in the local spin density approximationwith an additional Hubbard correlation term for the rare-earth 4f states. The results show that the gadolinium moment isaligned antiparallel to that of transition metal atoms for both Co$_{16}$Cr$_7$GdSi$_8$ and Co$_{15}GdCr$_8$Si$_8$. The analysis of the doped material band structures shows that the half-metallic properties are completely conserved if Gd substitutes Cr atoms, while the minority-spin gap is filled and half-metallicity is lost when Gd substitutes Co atoms.

    • First-principles computations of Y$_x$Ga$_{1−x}$As-ternary alloys: a study on structural, electronic, optical and elastic properties

      S TOUAM R BELGHIT R MAHDJOUBI Y MEGDOUD H MERADJI MUHAMMAD SHEHRYAR KHAN R AHMED R KHENATA S GHEMID D P RAI Y AL-DOURI

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      In this work, the first-principles computational study on the structural, elastic, electronic and optical propertiesof Y$_x$Ga$_{1−x}$As as a function of yttrium concentration ($x$) is presented. The computations are performed using the fullpotential linearized augmented plane wave plus local orbital method designed within density functional theory. Firstly,we performed our calculations on the most stable phases, NaCl and zinc blende, then their transition pressure for eachconcentration is determined and analysed. Our computed results for the zero yttrium concentration are found consistentwith the available experimental measurements as well as with theoretical predictions. Moreover, the dependencies of theseparameters upon yttrium concentration ($x$) were found to be non-linear.We also report computed results on electronic-bandstructure, electronic energy band gap results and density of states. A systematic study on optical properties to analyse itsoptoelectronic character and elastic properties is presented.

  • 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

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