Recently, the fabricated MoS2 field effect transistors (FETs) with 1T-MoS2 electrodes exhibit excellent performance with rather low contact resistance, as compared with those with metals deposited directly on 2H-MoS2 (Kappera et al 2014 Nat. Mater. 13 1128), but the reason for that remains elusive. By means of density functional theory calculations, we investigated the carrier injection at the 1T/2H MoS2 interface and found that although the Schottky barrier height (SBH) values of 1T/2H MoS2 interfaces can be tuned by controlling the stacking patterns, the p-type SBH values of 1T/2H MoS2 interfaces with different stackings are lower than their corresponding n-type SBH values, which demonstrated that the metallic 1T phase can be used as an efficient hole injection layer for 2H-MoS2. In addition, as compared to the n-type Au/MoS2 and Pd/MoS2 contacts, the p-type SBH values of 1T/2H MoS2 interfaces are much lower, which stem from the efficient hole injection between 1T-MoS2 and 2H-MoS2. This can explain the low contact resistance in the MoS2 FETs with 1T-MoS2 electrodes. Notably, the SBH values can be effectively modulated by an external electric field, and a significantly low p-type SBH value can be achieved under an appropriate electric field. We also demonstrated that this approach is also valid for WS2, WSe2 and MoSe2 systems, which indicates that the method can most likely be extended to other TMDs, and thus may open new promising avenues of contact engineering in these materials.
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Ab initio computational screening and performance assessment of van der Waals and semimetallic contacts to monolayer WSe2P-type field-effect transistors
Recent technology development of logic devices based on 2-D semiconductors such as MoS2, WS2, and WSe2 has triggered great excitement, paving the way to practical applications. Making low-resistance p-type contacts to 2-D semiconductors remains a critical challenge. The key to addressing this challenge is to find high-work function metallic materials which also introduce minimal metal-induced gap states (MIGSs) at the metal/semiconductor interface. In this work, we perform a systematic computational screening of novel metallic materials and their heterojunctions with monolayer WSe2 based on ab initio density functional theory and quantum device simulations. Two contact strategies, van der Waals (vdW) metallic contact and bulk semimetallic contact, are identified as promising solutions to achieving Schottky-barrier-free and low-contact-resistance p-type contacts for WSe2 p-type field-effect transistor (pFETs). Good candidates of p-type contact materials are found based on our screening criteria, including 1H-NbS2, 1H-TaS2, and 1T-TiS2 in the vdW metal category, as well as Co3Sn2S2 and TaP in the bulk semimetal category. Simulations of these new p-type contact materials suggest reduced MIGS, less Fermi-level pinning effect, negligible Schottky barrier height and small contact resistance (down to 20 Ωμm )
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- NSF-PAR ID:
- 10434932
- Date Published:
- Journal Name:
- IEEE transactions on electron devices
- Volume:
- 70
- Issue:
- 4
- ISSN:
- 0018-9383
- Page Range / eLocation ID:
- 2090-2097
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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Abstract This paper provides comprehensive experimental analysis relating to improvements in the two-dimensional (2D) p-type metal–oxide–semiconductor (PMOS) field effect transistors (FETs) by pure van der Waals (vdW) contacts on few-layer tungsten diselenide (WSe2) with high-k metal gate (HKMG) stacks. Our analysis shows that standard metallization techniques (e.g., e-beam evaporation at moderate pressure ~ 10–5 torr) results in significant Fermi-level pinning, but Schottky barrier heights (SBH) remain small (< 100 meV) when using high work function metals (e.g., Pt or Pd). Temperature-dependent analysis uncovers a more dominant contribution to contact resistance from the channel access region and confirms significant improvement through less damaging metallization techniques (i.e., reduced scattering) combined with strongly scaled HKMG stacks (enhanced carrier density). A clean contact/channel interface is achieved through high-vacuum evaporation and temperature-controlled stepped deposition providing large improvements in contact resistance. Our study reports low contact resistance of 5.7 kΩ-µm, with on-state currents of ~ 97 µA/µm and subthreshold swing of ~ 140 mV/dec in FETs with channel lengths of 400 nm. Furthermore, theoretical analysis using a Landauer transport ballistic model for WSe2SB-FETs elucidates the prospects of nanoscale 2D PMOS FETs indicating high-performance (excellent on-state current vs subthreshold swing benchmarks) towards the ultimate CMOS scaling limit.
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Abstract The performance of electronic and optoelectronic devices is dominated by charge carrier injection through the metal–semiconductor contacts. Therefore, creating low-resistance electrical contacts is one of the most critical challenges in the development of devices based on new materials, particularly in the case of two-dimensional semiconductors. Herein, we report a strategy to reduce the contact resistance of MoS 2 via local pressurization. We fabricated electrical contacts using an atomic force microscopy tip and applied variable pressure ranging from 0 to 25 GPa. By measuring the transverse electronic transport properties, we show that MoS 2 undergoes a reversible semiconducting-metallic transition under pressure. Planar devices in field effect configuration with electrical contacts performed at pressures above ∼15 GPa show up to 30-fold reduced contact resistance and up to 25-fold improved field-effect mobility when compared to those measured at low pressure. Theoretical simulations show that this enhanced performance is due to improved charge injection to the MoS 2 semiconductor channel through the metallic MoS 2 phase obtained by pressurization. Our results suggest a novel strategy for realizing improved contacts to MoS 2 devices by local pressurization and for exploring emergent phenomena under mechano-electric modulation.more » « less
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Accepted Manuscript1.0
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- The DOI is not currently available.
