DFT coupled with NEGF study of structural, electronic and transport properties of two-dimensional InOBr.

As Moore's law is approaching its physical limit, two-dimensional (2D) materials have been expected to be favorable silicon alternatives. Here, the electronic properties and the ballistic quantum transport performances of monolayer InOBr are studied through the density functional theory coupled with nonequilibrium Green function formalism. Monolayer InOBr is a dynamic and thermodynamic stable system and has an indirect bandgap of 3.37 eV at HSE06 level. Interestingly, the ballistic transport simulations show that the monolayer InOBr can effectively suppress the short channel effect at sub-5nm nodes. For high-performance applications, the on-currents of a- and b-directed monolayer InOBr field-effect-transistors (FETs) with 5-nm channel length exceed 3200 μA μm−1 and the sub-threshold swings of about 70 mV/dec. Besides, the 5-nm a-directed FETs can also satisfy the low-power applications with the on/off ratio of more than 107. Thus, monolayer InOBr will be an attractive channel material to extend Moore's law to sub-5 nm. • 2D InOBr mololyer exhibits kinetic and thermodynamic stability. • 2D InOBr monolayer possesses an indirect band gap with 3.37 eV. • 2D InOBr monolayer shows a significant light-harvesting capability in UV region. • Monolayer InOBr with 5-nm channel length possesses a promising switching ability. • The a-directed FETs display more superior electrostatic ability. [ABSTRACT FROM AUTHOR]