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    • Keywords


      Ab-initio calculations; density functional theory; electronic structure; topological insulators; magnetic moment; spintronics.

    • Abstract


      We investigated the magnetic interaction of carbon (C)-transition (Cr/Fe) and rare-earth Gadolinium (Gd) metal co-doped bismuth telluride (BT) systems (Cr$_x$C$_y$Bi$_{12-x}$Te$_{18-y}$, Fe$_x$C$_y$Bi$_{12-x}$Te$_{18-y}$ and Gd$_x$C$_y$Bi$_{12-x}$Te$_{18-y}$ (x = 1,y = 1) supercell structures) by using the density functional theory based on the full-potential linear augmented plane wave method via inclusion of spin polarized calculation. Addition of metal dopant ions in bismuth telluride enhanced the totalspin magnetic moment of the entire system ($M_{tot}$), which was further increased by the presence of the carbon ion. However, spin magnetic moment of individual dopant ions ($M_S$) was found to be increased or decreased depending upon the position of the metal-carbon dopants relative to each other. This increase in $M_S$ is explained by Zener exchange mechanism. C showed a weak $M_S$, in its addition in the BT system. Gd-C co-doping showed highest $M_{tot}$ and $M_S$ compared to Fe-C doped (BT) system. The spin magnetic moment of the system and that of individual dopant ions is influenced by varying the position of C relative to metal dopant ions in BT system. This understanding over the changes inthe value of magnetic moment with respect to the position of C ion compared to other dopant ions in the material will lead to the future improvement of magnetic data storage devices.

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    • Author Affiliations



      1. Crystal Growth Centre, Anna University, Chennai 600025, India
      2. Department of Applied Physics, Indian Institute of Technology, Dhanbad 826004, India
    • Dates

  • Bulletin of Materials Science | News

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