Abstract
We simulate boron on Pb (110) surface by using ab initio evolutionary methodology. Interestingly, the two-dimensional (2D) Dirac Pmmn boron can be formed because of good lattice matching. Unexpectedly, by increasing the thickness of 2D boron, a three-bonded graphene-like structure (P21/a boron) was revealed to possess double anisotropic Dirac cones. It is 20meV/atom lower in energy than the Pmmn structure, indicating the most stable 2D boron with particular Dirac cones. The puckered structure of P21/a boron results in the peculiar Dirac cones, as well as substantial mechanical anisotropy. The calculated Young’s modulus is 320GPa·nm along zigzag direction, which is comparable with graphene.
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