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.
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Acknowledgments
This work is supported by Grants from the National Natural Science Foundation of China (Grant No. NSFC-11174014), the National Grand Fundamental Research 973 Program of China (Grant No. 2012CB921404), and from the US Department of Energy. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Xiaowei Li would like to acknowledge the support from China Postdoctoral Science Foundation (Grant No. 2012M510246).
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This article is part of the topical collection on nanomaterials in energy, health and environment
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Li, X., Zhou, J., Wang, Q. et al. Magnetic properties of two dimensional silicon carbide triangular nanoflakes-based kagome lattices. J Nanopart Res 14, 1056 (2012). https://doi.org/10.1007/s11051-012-1056-5
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DOI: https://doi.org/10.1007/s11051-012-1056-5