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Register a new userBorophane: Stable Two-dimensional Anisotropic Dirac Material with Ultrahigh Fermi Velocity
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Recent synthesis of monolayer borophene (triangle boron monolayer) on the substrate opens the era of boron nanosheet (Science, 350, 1513, $mathbf{2015}$), but the structural stability and novel physical properties are still open issues. Here we demonstrated borophene can be stabilized with fully surface hydrogenation, called as borophane, from first-principles calculations. Most interesting, it shows that borophane has direction-dependent Dirac cones, which are mainly contributed by in-plane emph{p$_{x}$} and emph{p$_{y}$} orbitals of boron atoms. The Dirac fermions possess an ultrahigh Fermi velocity up to 3.0$times$10$^{6}$ m/s, 4 times higher than that of graphene. The Youngs modules are calculated to be 129 and 200 GPa$cdot$nm along two different directions, which is comparable with steel. The ultrahigh Fermi velocity and high mechanical feature render borophane ideal for nanoelectronics applications.
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Searching for two-dimensional (2D) organic Dirac materials, which have more adaptable practical applications in comparing with inorganic ones, is of great significance and has been ongoing. However, only two kinds of these materials with low Fermi velocity have been discovered so far. Herein, we report the design of an organic monolayer with C$_4$N$_3$H stoichiometry which possesses fascinating structure and good stability in its free-standing state. More importantly, we demonstrate that this monolayer is a semimetal with anisotropic Dirac cones and very high Fermi velocity. This Fermi velocity is roughly one order of magnitude larger than that in 2D organic Dirac materials ever reported, and is comparable to that in graphene. The Dirac states in this monolayer arise from the extended $pi$-electron conjugation system formed by the overlapping 2emph{p}$_z$ orbitals of carbon and nitrogen atoms. Our finding opens a door for searching more 2D organic Dirac materials with high Fermi velocity.
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Two-dimensional (2D) materials with Dirac cones have been intrigued by many unique properties, i.e., the effective masses of carriers close to zero and Fermi velocity of ultrahigh, which yields a great possibility in high-performance electronic devices. In this work, using first-principles calculations, we have predicted a new Dirac cone material of silicon carbide with the new stoichiometries, named g-SiC6 monolayer, which is composed of sp2 hybridized with a graphene-like structure. The detailed calculations have revealed that g-SiC6 has outstanding dynamical, thermal, and mechanical stabilities, and the mechanical and electronic properties are still isotropic. Of great interest is that the Fermi velocity of g-SiC6 monolayer is the highest in silicon carbide Dirac materials until now. The Dirac cone of the g-SiC6 is controllable by an in-plane uniaxial strain and shear strain, which is promised to realize a direct application in electronics and optoelectronics. Moreover, we found that new stoichiometries AB6 (A, B = C, Si, and Ge) compounds with the similar SiC6 monolayer structure are both dynamics stable and possess Dirac cones, and their Fermi velocity was also calculated in this paper. Given the outstanding properties of those new types of silicon carbide monolayer, which is a promising 2D material for further exploring the potential applications.
By means of extensive ab initio calculations, a new two-dimensional (2D) atomic material tin selenide monolayer (coined as tinselenidene) is predicted to be a semiconductor with an indirect gap (1.45 eV) and a high hole mobility (of order 10000 cm2V-1S-1), and will bear an indirect-direct gap transition under a rather low strain (<0.5 GPa). Tinselenidene has a very small Youngs modulus (20-40 GPa) and an ultralow lattice thermal conductivity (<3 Wm-1K-1 at 300 K), making it probably the most flexible and most heat-insulating material in known 2D atomic materials. In addition, tinseleniden has a large negative Poissons ratio of -0.17, thus could act as a 2D auxetic material. With these intriguing properties, tinselenidene could have wide potential applications in thermoelectrics, nanomechanics and optoelectronics.
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