Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 18, Issue 11, Pages 8059-8064Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c6cp00368k
Keywords
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Funding
- National Basic Research Program of China [2012CB932302]
- National Natural Science Foundation of China [21433006]
- 111 project [B13029]
- National Super Computing Centre in Jinan
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Dirac cones in the band structure make a great contribution to the unique electronic properties of graphene. But the spin-degeneracy of Dirac cones limits the application of graphene in spintronics. Here, using first-principles calculations, we propose a two-dimensional (2D) metal-organic framework (MOF), Ni2C24S6H12, with spin-polarized Dirac cones at the six corners of the Brillouin zone (BZ). Ferromagnetism is quite stable with a high Curie temperature (630 K) as revealed by Monte Carlo simulation within the Ising model. Taking spin-orbit coupling into account, band gaps are opened up at the Dirac point (5.9 meV) and Gamma point (10.4 meV) in the BZ, making Ni2C24S6H12 a Chern topological insulator which is implemented for achieving the quantum anomalous Hall effect. These interesting properties enable Ni2C24S6H12 to be a promising candidate material for spintronics device applications.
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