Origin of anomalous p-type conductivity in monolayer Fe-doped MoS2
Fuente:
arXiv
Guardado en:
| Autores principales: | , , , , , , , , , , , , , , , |
|---|---|
| Formato: | Preprint |
| Publicado: |
2026
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
| _version_ | 1866917302133325824 |
|---|---|
| author | Quan, Xiangning Yuan, Xiaoqiu Zhang, Junwei Peng, Xuebing Mei, Helin Yan, Cheng Zhang, Hong Li, Hongli Gao, Daqiang Wang, Yongjian Si, Mingsu Zhang, Lili Zhang, Anmin Zhang, Zongyuan Shan, Lei Peng, Yong |
| author_facet | Quan, Xiangning Yuan, Xiaoqiu Zhang, Junwei Peng, Xuebing Mei, Helin Yan, Cheng Zhang, Hong Li, Hongli Gao, Daqiang Wang, Yongjian Si, Mingsu Zhang, Lili Zhang, Anmin Zhang, Zongyuan Shan, Lei Peng, Yong |
| contents | Substitutional doping effectively modulates carrier polarity of semiconducting two-dimensional (2D) transition metal dichalcogenides (TMDs) like MoS2. Although Fe doping typically induces n-type conductivity in monolayer MoS2, anomalous p-type behavior has also been experimentally reported, the origin of which remains unresolved. Here, we prove that this anomalous p-type conductivity originates from defect associates formed through interactions between Fe dopants and S atoms, which consists of three Fe substituting Mo (FeMo) point defects arranged into an equilateral triangle with a central S atom, denoted as 3FeMo-S associate. Its p-type effect is directly verified through scanning tunneling microscopy/scanning tunneling spectroscopy (STM/STS) measurement, in sharp contrast to the n-type behavior induced by isolated FeMo point defects, and the conclusion is further supported by electrical transport measurements and first-principles calculations. Similar 3FeW-S associates and their p-type doping effect are also identified in monolayer Fe-doped WS2. This work resolves a longstanding controversy and highlights the critical role of defect associates in modulating properties of 2D TMDs. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2603_00641 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Origin of anomalous p-type conductivity in monolayer Fe-doped MoS2 Quan, Xiangning Yuan, Xiaoqiu Zhang, Junwei Peng, Xuebing Mei, Helin Yan, Cheng Zhang, Hong Li, Hongli Gao, Daqiang Wang, Yongjian Si, Mingsu Zhang, Lili Zhang, Anmin Zhang, Zongyuan Shan, Lei Peng, Yong Materials Science Substitutional doping effectively modulates carrier polarity of semiconducting two-dimensional (2D) transition metal dichalcogenides (TMDs) like MoS2. Although Fe doping typically induces n-type conductivity in monolayer MoS2, anomalous p-type behavior has also been experimentally reported, the origin of which remains unresolved. Here, we prove that this anomalous p-type conductivity originates from defect associates formed through interactions between Fe dopants and S atoms, which consists of three Fe substituting Mo (FeMo) point defects arranged into an equilateral triangle with a central S atom, denoted as 3FeMo-S associate. Its p-type effect is directly verified through scanning tunneling microscopy/scanning tunneling spectroscopy (STM/STS) measurement, in sharp contrast to the n-type behavior induced by isolated FeMo point defects, and the conclusion is further supported by electrical transport measurements and first-principles calculations. Similar 3FeW-S associates and their p-type doping effect are also identified in monolayer Fe-doped WS2. This work resolves a longstanding controversy and highlights the critical role of defect associates in modulating properties of 2D TMDs. |
| title | Origin of anomalous p-type conductivity in monolayer Fe-doped MoS2 |
| topic | Materials Science |
| url | https://arxiv.org/abs/2603.00641 |