In the race towards high-performance ultra-scaled devices, two-dimensional materials offer an alternative paradigm thanks to their atomic thickness suppressing short-channel effects. It is thus urgent to study the most promising candidates in realistic configurations, and here we present detailed multiscale simulations of field-effect transistors based on arsenene and antimonene monolayers as channels. The accuracy of first-principles approaches in describing electronic properties is combined with the efficiency of tight-binding Hamiltonians based on maximally localized Wannier functions to compute the transport properties of the devices. These simulations provide for the first time estimates on the upper limits for the electron and hole mobilities in the Takagi's approximation, including spin–orbit and multi-valley effects, and demonstrate that ultra-scaled devices in the sub-10-nm scale show a performance that is compliant with industry requirements.

In this paper we propose two transistor concepts based on lateral heterostructures of monolayer MoS2, composed of adjacent regions of 1T (metallic) and 2H (semiconducting) phases, inspired by recent research showing the possibility to obtain such heterostructures by electron beam irradiation. The first concept, the lateral heterostructure field-effect transistor, exhibits potential of better performance with respect to the foreseen evolution of CMOS technology, both for high performance and low power applications. Performance potential has been evaluated by means of detailed multi-scale materials and device simulations. The second concept, the planar barristor, also exhibits potential competitive performance with CMOS, and an improvement of orders of magnitude in terms of the main figures of merit with respect to the recently proposed vertical barristor.

http://www.gianlucafiori.org/articles/GaSe_AEM.pd

Single dopant nanowire transistors can be viewed as the ultimate miniaturization of nano electronic devices. In this work, we theoretically investigate the influence of the electron-phonon coupling on their transport properties using a non-equilibrium Green's function approach in the self-consistent Born approximation. For an impurity located at the center of the wire we find that, at room temperature, acoustic phonons broaden the impurity level so that the bistability predicted in the ballistic regime is suppressed. Optical phonons are found to have a beneficial impact on carrier transport via a phonon-assisted tunneling effect. We discuss the position and temperature dependence of these effects, showing that such systems might be very promising for engineering of ultimate devices.