In-plane band bending in hexagonal monolayer WS2 by edge polarization
- Authors
- Shin, Eun-Ha; Kim, Hanchul; Kim, Yong-Sung
- Issue Date
- May-2019
- Publisher
- AMER PHYSICAL SOC
- Citation
- PHYSICAL REVIEW B, v.99, no.20
- Journal Title
- PHYSICAL REVIEW B
- Volume
- 99
- Number
- 20
- URI
- https://scholarworks.sookmyung.ac.kr/handle/2020.sw.sookmyung/3662
- DOI
- 10.1103/PhysRevB.99.205427
- ISSN
- 2469-9950
2469-9969
- Abstract
- A triangular domain structure within hexagonal monolayer WS2 is found to be induced by edge polarization. Based on density-functional theory calculations, the local electrostatic potential over WS2 is investigated, and with the S-adatom and S-2-addimer reconstructions at the W edges, the domains facing the W edges are found to be lower by up to 1.8 eV in the electrostatic potential than those facing the S edges. The edge-induced band bending in the terminated two-dimensional system is a two-dimensional analogy of the surface band bending effect in the terminated three-dimensional system. The largest potential difference is found to be comparable to the electronic gap of WS2, and near the edges, the W and S domains can be n- and p-type doped, respectively, by which the hexagonal monolayer WS2 can be applied to a bipolar electronic junction device.
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