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Dirac Cones, Elastic Properties, and Carrier Mobility of the FeB2 Monolayer: The Effects of Symmetry

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journal contribution
posted on 2021-12-23, 20:43 authored by Zijian Wang, Ting Cheng, Zhirong Liu
Among the rare two-dimensional Dirac materials with novel properties, the FeB2 monolayer with a planar honeycomb structure was expected to be a promising candidate for spintronic devices due to its symmetry. Here, we combined group-theory analysis and first-principles calculations to investigate the band structure and the intrinsic carrier mobility of the FeB2 monolayer under acoustic phonon scattering conditions. The Dirac cones were found to be isotropic with a Fermi velocity of 3.98 × 105 m/s, being about a half of that in graphene. The Dirac point is a singular point whose projected orbital components are dependent on the approaching direction. Based on the generalized deformation potential theory, the carrier mobility of the FeB2 monolayer at room temperature was predicted to be about 5.8 × 104 cm2 V–1 s–1 and was less vulnerable to charge doping in comparison with graphene.

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