First-Principles Electron Transport with Phonon Coupling: Large-Scale at Low Cost

Autor: Gunst, Tue, Markussen, Troels, Palsgaard, Mattias L. N., Stokbro, Kurt, Brandbyge, Mads
Rok vydání: 2017
Předmět:
Zdroj: Phys. Rev. B 96, 161404 (2017)
Druh dokumentu: Working Paper
DOI: 10.1103/PhysRevB.96.161404
Popis: Phonon-assisted tunneling plays a crucial role for electronic device performance and even more so with future size down-scaling. We show how one can include this effect in large-scale first-principles calculations using a single "special thermal displacement" (STD) of the atomic coordinates at almost the same cost as elastic transport calculations. We apply the method to ultra-scaled silicon devices and demonstrate the importance of phonon-assisted band-to-band and source-to-drain tunneling. In a diode the phonons lead to a rectification ratio suppression in good agreement with experiments, while in an ultra-thin body transistor the phonons increase off-currents by four orders of magnitude, and the subthreshold swing by a factor of four, in agreement with perturbation theory.
Databáze: arXiv