Due to their unique properties and potential applications, van der Waals (vdW) crystals with covalently bonded building blocks through vdW interactions have sparked widespread interest. In this article, we introduce a Ta2Ni3Se8 material as an example of an emerging one-dimensional (1D)-vdW-based material. Recently, it was demonstrated that bulk Ta2Ni3Se8 crystals may be effectively exfoliated into a few-chain-scale nanowires using simple mechanical and liquid-phase exfoliation. We performed density-functional theory calculations to get a better understanding of its electrical, magnetic, and transport properties. Theoretically, we expect that this Ta2Ni3Se8 is a semiconducting material, displaying the indirect-to-direct bandgap transition from bulk to single, as well as the band splitting and bandgap opening with the inclusion of Coulomb interaction. Based on deformation potential theory, the carrier mobility of bulk Ta2Ni3Se8 along the axis direction (a-axis) is as high as 264.00 cm2 V−1 s−1 for electrons and 119.62 cm2 V−1 s−1 for holes. The calculated carrier mobility of Ta2Ni3Se8, a 1D single nanowire, is 59.60 cm2 V−1 s−1 for electrons and 42.90 cm2 V−1 s−1 for holes, which is comparable to that of other 1D materials. This confirms that a recently developed field-effect transistor based on Ta2Ni3Se8 nanowires exhibits maximum experimental mobilities of 20.3 and 3.52 cm2 V−1 s−1 for electrons and holes, respectively. On the basis of the obtained intriguing properties of 1D vdW Ta2Ni3Se8 material, it is expected to be a potential candidate for additional 1D materials as channel materials.
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14 February 2022
Research Article|
February 14 2022
Structural, electronic, and transport properties of 1D Ta2Ni3Se8 semiconducting material
Special Collection:
One-Dimensional van der Waals Materials
You Kyoung Chung
;
You Kyoung Chung
1
Department of Chemistry, Sungkyunkwan University
, Suwon 16419, Republic of Korea
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Jiho Jeon;
Jiho Jeon
2
School of Advanced Institute of Nanotechnology, Sungkyunkwan University
, Suwon 16419, Republic of Korea
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Junho Lee
;
Junho Lee
1
Department of Chemistry, Sungkyunkwan University
, Suwon 16419, Republic of Korea
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Jae-Young Choi
;
Jae-Young Choi
2
School of Advanced Institute of Nanotechnology, Sungkyunkwan University
, Suwon 16419, Republic of Korea
3
School of Advanced Materials Science and Engineering, Sungkyunkwan University
, Suwon 16419, Republic of Korea
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Joonsuk Huh
Joonsuk Huh
a)
1
Department of Chemistry, Sungkyunkwan University
, Suwon 16419, Republic of Korea
2
School of Advanced Institute of Nanotechnology, Sungkyunkwan University
, Suwon 16419, Republic of Korea
4
Institute of Quantum Biophysics, Sungkyunkwan University
, Suwon 16419, Republic of Korea
a)Author to whom correspondence should be addressed: joonsukhuh@skku.edu
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a)Author to whom correspondence should be addressed: joonsukhuh@skku.edu
Note: This paper is part of the APL Special Collection on One-Dimensional van der Waals Materials.
Appl. Phys. Lett. 120, 073101 (2022)
Article history
Received:
November 30 2021
Accepted:
January 29 2022
Citation
You Kyoung Chung, Jiho Jeon, Junho Lee, Jae-Young Choi, Joonsuk Huh; Structural, electronic, and transport properties of 1D Ta2Ni3Se8 semiconducting material. Appl. Phys. Lett. 14 February 2022; 120 (7): 073101. https://doi.org/10.1063/5.0080264
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