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Ab initio simulation of band-to-band tunneling FETs with single- and few-layer 2-D materials as channels

Mathieu Luisier1*, Aron Szabo1, Cedric Klinkert1, Davide Campi2, Christian Stieger1, Nicola Marzari2

1 Integrated Systems Laboratory, ETH Zürich, 8092 Zürich, Switzerland

2 Laboratory of Theory and Simulation of Materials, EPFL, 1015 Lausanne, Switzerland

* Corresponding authors emails: mluisier@iis.ee.ethz.ch
DOI10.24435/materialscloud:2019.0058/v1 [version v1]

Publication date: Oct 11, 2019

How to cite this record

Mathieu Luisier, Aron Szabo, Cedric Klinkert, Davide Campi, Christian Stieger, Nicola Marzari, Ab initio simulation of band-to-band tunneling FETs with single- and few-layer 2-D materials as channels, Materials Cloud Archive 2019.0058/v1 (2019), doi: 10.24435/materialscloud:2019.0058/v1.


Full-band atomistic quantum transport simulations based on first principles are employed to assess the potential of band-to-band tunneling field-effect-transistors (TFETs) with a 2-D channel material as future electronic circuit components. We demonstrate that single layer transition metal dichalcogenides (TMDs) are not well-suited for TFET applications. There might, however, exist a great variety of 2-D semiconductors that have not even been exfoliated yet: this work pinpoints some of the most promising candidates among them to realize highly efficient TFETs. Single-layer SnTe, As, TiNBr, and Bi are all found to ideally deliver ON-currents larger than 100 μA/μm at 0.5 V supply voltage and 0.1 nA/μm OFF current value. We show that going from single to multiple layers can boost the TFET performance as long as the gain from a narrowing band gap exceeds the loss from the deteriorating gate control. Finally, a 2-D van der Waals heterojunction TFET is revealed to perform almost as well as the best single-layer homojunction, paving the way for research in optimal 2-D material combinations.

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File name Size Description
2.6 GiB All data that were generated for this paper are included: - command files for the OMEN quantum transport simulator - Hamiltonian matrices expressed in a MLWF basis and stored as binary files - all simulation results (current, voltage, charge density, electrostatic potential, transmission function, density-of-states)
318 Bytes README.txt


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External references

Journal reference
A. Szabo, C. Klinkert, D. Campi, C. Stieger, N. Marzari, and M. Luisier, IEEE Trans. Elec. Dev. 65, 4180-4187 (2018) doi:10.1109/TED.2018.2840436


MARVEL/DD3 Device simulation TFETs 2-D materials Ab initio Quantum Transport

Version history:

2019.0058/v1 (version v1) [This version] Oct 11, 2019 DOI10.24435/materialscloud:2019.0058/v1