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Strong in-plane anisotropy in the electronic properties of doped transition metal dichalcogenides exhibited in W1−xNbxS2
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Loh, Siow Mean, Xia, Xue, Wilson, Neil R. and Hine, Nicholas (2021) Strong in-plane anisotropy in the electronic properties of doped transition metal dichalcogenides exhibited in W1−xNbxS2. Physical Review B (Condensed Matter and Materials Physics), 103 . 245410. doi:10.1103/PhysRevB.103.245410
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Official URL: https://doi.org/10.1103/PhysRevB.103.245410
Abstract
We study the electronic properties of monolayer transition metal dichalcogenide materials subjected to aliovalent doping, using Nb-doped WS2 as an exemplar. Scanning transmission electron microscopy imaging of the as-grown samples reveals an anisotropic Nb dopant distribution, prompting an investigation of anisotropy in electronic properties. Through electronic structure calculations on supercells representative of observed structures, we confirm that local Nb-atom distributions are consistent with energetic considerations, although kinetic processes occurring during sample growth must be invoked to explain the overall symmetry-breaking. We perform effective bandstructure and conductivity calculations on realistic models of the material that demonstrate that a high level of anisotropy can be expected in electronic properties including conductivity. In-plane anisotropy of the conductivity is predicted to be as high as 5:1, which is higher than previously observed in any TMDC system in the [Mo,W][S,Se]2 class.
| Item Type: | Journal Article | ||||||||||||
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| Subjects: | Q Science > QC Physics Q Science > QD Chemistry Q Science > QH Natural history T Technology > TA Engineering (General). Civil engineering (General) |
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| Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||||||||||
| Library of Congress Subject Headings (LCSH): | Anisotropy , Transition metals -- Electric properties, Scanning transmission electron microscopy, Two-dimensional materials | ||||||||||||
| Journal or Publication Title: | Physical Review B (Condensed Matter and Materials Physics) | ||||||||||||
| Publisher: | American Physical Society | ||||||||||||
| ISSN: | 1098-0121 | ||||||||||||
| Official Date: | 8 June 2021 | ||||||||||||
| Dates: |
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| Volume: | 103 | ||||||||||||
| Article Number: | 245410 | ||||||||||||
| DOI: | 10.1103/PhysRevB.103.245410 | ||||||||||||
| Status: | Peer Reviewed | ||||||||||||
| Publication Status: | Published | ||||||||||||
| Access rights to Published version: | Restricted or Subscription Access | ||||||||||||
| Copyright Holders: | © 2021 American Physical Society | ||||||||||||
| RIOXX Funder/Project Grant: |
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