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

Authors: 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 author email: mluisier@iis.ee.ethz.ch

DOI10.24435/materialscloud:2019.0058/v1 (version v1, submitted on 11 October 2019)

How to cite this entry

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), doi: 10.24435/materialscloud:2019.0058/v1.

Description

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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Files

File name Size Description
TFET.tgz
MD5MD5: 47ef20f43fbfa1637aeec5adda60cb14
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)
README.txt
MD5MD5: d3767d9d767acae089d85f4304b79acd
318 Bytes README.txt

License

Files and data are licensed under the terms of the following license: Creative Commons Attribution 4.0 International.

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

Keywords

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

Version history

11 October 2019 [This version]