Abstract

Here, the electronic properties and ballistic transport properties of two-dimensional (2D) ZrNBr are comprehensively investigated by the nonequilibrium Green’s function coupled with density functional theory. 2D ZrNBr has a wide direct band gap of 1.82 eV with the highest mobility of 8700cm $^{{2}}\text{V}^{-{1}}\text{s}^{-{1}}$ . Both the n- and p-type 2D ZrNBr MOSFETs with 5-nm channel length hold the on-currents above $2300~\mu \text{A}/\mu \text{m}$ for high-performance devices and an on/off ratio exceeding 106 for low-power applications, which is of great value for the design of complementary circuits in 2D electronics. In addition, the energy-delay products of the single 2D ZrNBr MOSFETs and the 32-bit Arithmetic Logic Unit show more potential compared to other 2D materials and CMOS proposals. Thus, this work broadens a promising path towards beyond-silicon electronic systems.

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