The Hamiltonian size reduction method or the mode space applicable to general heterogeneous structures is developed in this work. effectiveness and accuracy of are demonstrated for four example devices GaSb/InAs tunnel field effect transistor (FET), MoTe2/SnS2 bilayer vertical FET, InAs nanowire FET with a defect, Si rough surfaces. reduced around 5 % original full without losing calculated tra...

In this work, we present a first-principles study of quantum transport in tunnel FETs based on van der Waals (vdW) heterostructures transition metal dichalcogenides (TMDs). We focus 1T-HfSe2 and 1T-SnS2 monolayers to construct vertical heterostructure with type-II band alignment. By including dissipative effects due the electron–phonon interaction, show that vdW are highly sensible phonon coupl...