Searching for new two-dimensional (2D) Dirac cone materials has been popular since the discovery of graphene with a Dirac cone structure. Based on density functional theory (DFT) calculations, we theoretically designed a HfB monolayer as a new 2D Dirac material by introducing the transition metal Hf into a graphene-like boron framework. This newly predicted HfB monolayer has pronounced thermal and kinetic stabilities along with a Dirac cone with a massless Dirac fermion and Fermi velocities (3.59 × 10 and 6.15 × 10 m s) comparable to that of graphene (8.2 × 10 m s). This study enriches the diversity and promotes the application of 2D Dirac cone materials.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9059940PMC
http://dx.doi.org/10.1039/c8ra08291jDOI Listing

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