Emerging 2D materials for tunneling field effect transistors
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Abstract
This work focuses on understanding the electronic properties of materials to enhance the performance of Tunnel Field Effect Transistor (TFET) through Density Functional Theory (DFT) simulations. Material selection prefers a p-type material with in-plane high density of state (DOS) (and low out-of-plane effective mass, m*, where defined for many layer systems), and high valence band maxima (VBM) energy stacked with an n-type material with low conduction band minimum (CBM) energy (large electron affinity (EA)) that creates a broken or nearly broken band alignment and has low lattice mismatch. SnSe2 is well-suited for an n-type 2D material due to high EA, while WSe2, Black phosphorous (BP) and SnSe are explored for p-type materials. Bilayers consisting of monolayers of WSe2 and SnSe2 show a staggered but nearly broken band alignment (gap of 24 meV) and a high valence band DOS for WSe2. BP-SnSe2 shows a broken band alignment and benefits from a low lattice mismatch. SnSe-SnSe2 shows the highest chemical stability, an optimal performance in terms of DOS of SnSe, tunability with an external field, and high VBM that also leads to a broken band alignment.
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