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 language | English |
|---|---|
| Article number | 1056 |
| Journal | Journal of Nanoparticle Research |
| Volume | 14 |
| Issue number | 8 |
| DOIs | |
| State | Published - Aug 2012 |
| Externally published | Yes |
Keywords
- First principle calculation
- Kagome lattice
- Magnetic coupling
- Monte Carlo simulation
- Silicon carbide triangular nanoflake
- Tensile strain