In this study, we introduce high-purity and centimeter-scale van der Waals (vdWs) Ta2Ni3Se8 material as a promising channel material. The recent experiment shows that a field-effect transistor is successfully fabricated on the mechanically exfoliated Ta2Ni3Se8 nanowires with maximum mobilities of 20.3 and 3.52 cm2 V−1 s−1 for electrons and holes, respectively. To understand the electronic and transport properties, we computationally calculate the intrinsic carrier mobilities for three-dimensional (3D) bulk crystals and one-dimensional (1D) single nanowire (SN) of Ta2Ni3Se8 material. Using density functional theory and deformation potential theory, our theoretical calculation predict that the electron mobilities of the 3D_bulk and 1D_SN are 264 cm2 V−1 s−1 and 60 cm2 V−1 s−1 across the chain direction, respectively. It shows that they are both compatible with the carrier mobility of MoS2 that is used as a promising channel material. We also confirm that the electron mobility is about 4 times greater than the hole mobility for 3D_bulk and 1D_SN of Ta2Ni3Se8 material, which is consistent with the experimental values. Furthermore, the edges of the Ta2Ni3Se8 SNs are defect-free because they are produced by mechanical cleavage of the weak van der Waals interactions holding the sheets together. As the SNs are formed without requiring edge engineering and can be narrowed with proper carrier mobility, the obtained 1D_SN Ta2Ni3Se8 is expected to be used as an ideal material for ultra-narrow nano-electronic devices.

Intrinsic carrier mobility of van der Waals Ta2Ni3Se8 material

ACS Spring 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.