• Title/Summary/Keyword: nanostripe

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First-Principles Study on the Magnetism and Electronic Structure of Fe Nanostripes (나노 구조 철띠의 자성과 전자구조에 대한 제일원리 연구)

  • Byun, Y.;Lee, J.I.
    • Journal of the Korean Magnetics Society
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    • v.16 no.5
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    • pp.229-233
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    • 2006
  • We investigated the magnetic properties of Fe nanostripes by using the all electron full-potenial linearized augmented plane-wave (FLAPW) energy band method within the generalized gradient approximation (GGA). The magnetic moments of the Fe atoms in the edge Fe chains of the stripes composed of three, five, and seven chains have saturated values of 2.97 or 2.98 ${\mu}_B$, and the values of the center chains are 2.82 ${\mu}_B$ which is similar to that of 2D square lattice. The charge and spin density contour plots showed that the flat distribution in the edge region of the stripes, and it is due to the spilled out p-electrons from the atoms in the edge line. The calculated density of states for the edge atoms in the stripes with seven Fe chains showed that the narrowed width compared to that of center atoms due to the band narrowing effect at the edge.