| Autor: |
Xia R; School of Science, Hubei University of Technology Wuhan 430068 P. R. China fangli@hbut.edu.cn., Peng Y; School of Science, Hubei University of Technology Wuhan 430068 P. R. China fangli@hbut.edu.cn., Fang L; School of Science, Hubei University of Technology Wuhan 430068 P. R. China fangli@hbut.edu.cn., Meng X; School of Science, Hubei University of Technology Wuhan 430068 P. R. China fangli@hbut.edu.cn. |
| Jazyk: |
angličtina |
| Zdroj: |
RSC advances [RSC Adv] 2023 Sep 11; Vol. 13 (38), pp. 26812-26821. Date of Electronic Publication: 2023 Sep 11 (Print Publication: 2023). |
| DOI: |
10.1039/d3ra04363k |
| Abstrakt: |
The structure and electronic properties of two-dimensional vertical van der Waals PtSe 2 /Hf 2 CO 2 heterostructure have been investigated based on first-principles calculations. The results show that the PtSe 2 and Hf 2 CO 2 monolayers form a type-I heterostructure with both the conduction band minimum (CBM) and valence band maximum (VBM) located at the Hf 2 CO 2 layer. The electronic properties of PtSe 2 /Hf 2 CO 2 heterostructure can be effectively adjusted by applying external electric field or biaxial strain. The transition in band alignment from type-I to type-II can be manipulated by controlling the strength and direction of the electric field. Additionally, the transition from type-I to type-II have also taken place under the strains, and the band gap of the PtSe 2 /Hf 2 CO 2 heterostructure decreases with increasing the compressive or tensible strain. Under a strong strain of -8%, the PtSe 2 /Hf 2 CO 2 heterostructure can transform from semiconductor to metal. These findings provide a promising method to tune the electronic properties of PtSe 2 /Hf 2 CO 2 heterostructure and design a new vdW heterostructure in the applications for electronic and optoelectronic devices.
Competing Interests: There are no conflicts to declare.
(This journal is © The Royal Society of Chemistry.) |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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