Abstract
Two-dimensional materials with anisotropic properties (for example, mechanical, optical, and electrical transmission anisotropy) have been sought for a long time, especially two-dimensional materials with strong electrical transport anisotropy. Here, we report a class of two-dimensional NbCX(X=F,Cl,Br,I) monolayers with stable performance. Using density functional theory combined with the method of non-equilibrium Green's function, we found that the optical absorption characteristics of two-dimensional NbCX are highly dependent on the crystal lattice direction. The calculated electrical transport properties also show that the NbCX monolayer exhibits strong anisotropy in the bias voltage range of 0.1∼2.0 V. NbCX prefers to transmit current in the a direction, which can be orders of magnitude up to µA. The anisotropy, adjustable band gap and unique transport properties of two-dimensional NbCX can have potential applications in nano-optoelectronics.
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