Journal of Magnetics

  • 제16권1호
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  • Pages.1-5
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  • 2011
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  • 1226-1750(pISSN)
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  • 2233-6656(eISSN)
한국자기학회 (The Korean Magnetics Society)
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A First-principles Study on Magnetism of Al Impurity in bcc Fe

  • Rahman, Gul (Department of Physics, Quaid-i-Azam University) ;
  • Kim, In-Gee (Graduate Institute of Ferrous Technology, Pohang University of Science and Technology)
  • 투고 : 2010.11.08
  • 심사 : 2011.02.10
  • 발행 : 2011.03.31
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초록

The magnetism and electronic structure of bcc $Al_1Fe_{26}$ was investigated by means of first-principles calculations with and without spin-orbit coupling (SOC). From the calculated total energy, the SOC corrected system is shown to be approximately 5 meV per atom lower than the SOC uncorrected system. The induced spin magnetic moment at the Al site was -0.125 ${\mu}_B$ without SOC and -0.124 ${\mu}_B$ with SOC. The orbital magnetic moments were calculated to be 0.002 ${\mu}_B$ in [$\overline{1}$00] direction for Al. The electronic structures showed the nearest neighbor antiferromagnetic interaction between Fe and Al to be essential for determining the magnetism of the $Al_1Fe_{26}$ system.

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피인용 문헌

  1. Annealing effects on the crystal growth and the magnetic properties of Mn0.8Zn0.1Ni0.1Fe2O4 ferrite powder grown by using the sol-gel method vol.60, pp.5, 2012, https://doi.org/10.3938/jkps.60.795
  2. Structural and magnetic properties of nanoparticle Mn-Zn-Ni ferrite powders grown by using a sol-gel method vol.61, pp.11, 2012, https://doi.org/10.3938/jkps.61.1812
  3. Nickel Substitution Effects on Nano-sized Co, Mn and MnZn Ferrites Synthesized by Sol-gel Method vol.21, pp.1, 2016, https://doi.org/10.4283/JMAG.2016.21.1.040
  4. Crystallographic and Magnetic Properties of Co, Zn, Ni-Zn Substituted Nano-size Manganese Ferrites Synthesized by Sol-gel Method vol.21, pp.3, 2016, https://doi.org/10.4283/JMAG.2016.21.3.308