Magnetic properties of two dimensional silicon carbide triangular nanoflakes-based kagome lattices

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Abstract

Two-dimensional (2D) magnetic kagome lattices are constructed using silicon carbide triangular nanoflakes (SiC-TNFs). Two types of structures with alternating Si and C atoms are studied: the first one is constructed using the C-edged SiC-TNFs as the building blocks and C atoms as the linkers of kagome sites (TNF N -C-TNF N ) while the second one is composed of the Si-edged SiC-TNFs with Si atoms as linkers (TNF N -Si-TNF N ). Using density functional theory-based calculations, we show that the fully relaxed TNF N -C-TNF N retains the morphology of regular kagome lattice and is ferromagnetism. On the other hand, the TNF N -Si-TNF N structure is deformed and antiferromagnetic. However, the ground state of TNF N -Si-TNF N structure can be transformed from the antiferromagnetic to ferromagnetic state by applying tensile strain. Monte Carlo simulations indicate that the SiC-TNFs-based kagome lattices can be ferromagnetic at room temperature.

Original languageEnglish
Article number1056
JournalJournal of Nanoparticle Research
Volume14
Issue number8
DOIs
StatePublished - Aug 2012
Externally publishedYes

Keywords

  • First principle calculation
  • Kagome lattice
  • Magnetic coupling
  • Monte Carlo simulation
  • Silicon carbide triangular nanoflake
  • Tensile strain

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