title: Performance of arsenene and antimonene double-gate MOSFETs from first principles.
abstract: 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.
authors.affiliation: Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, Lausanne CH-1015, Switzerland.
authors.forename: Giovanni
authors.initials: G
authors.lastname: Pizzi
authors.affiliation: Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, Lausanne CH-1015, Switzerland.
authors.forename: Marco
authors.initials: M
authors.lastname: Gibertini
authors.affiliation: Dipartimento di Ingegneria dell'Informazione, University of Pisa, Pisa 56122, Italy.
authors.forename: Elias
authors.initials: E
authors.lastname: Dib
authors.affiliation: Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, Lausanne CH-1015, Switzerland.
authors.forename: Nicola
authors.initials: N
authors.lastname: Marzari
authors.affiliation: Dipartimento di Ingegneria dell'Informazione, University of Pisa, Pisa 56122, Italy.
authors.forename: Giuseppe
authors.initials: G
authors.lastname: Iannaccone
authors.affiliation: Dipartimento di Ingegneria dell'Informazione, University of Pisa, Pisa 56122, Italy.
authors.forename: Gianluca
authors.initials: G
authors.lastname: Fiori