Academic Journal
Interface Structure and Doping of Chemical Vapor Deposition‐Grown MoS 2 on 4H–SiC by Microscopic Analyses and Ab Initio Calculations
| العنوان: | Interface Structure and Doping of Chemical Vapor Deposition‐Grown MoS 2 on 4H–SiC by Microscopic Analyses and Ab Initio Calculations |
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| المؤلفون: | Panasci, Salvatore Ethan, Deretzis, Ioannis, Schilirò, Emanuela, La Magna, Antonino, Roccaforte, Fabrizio, Koos, Antal, Pécz, Béla, Agnello, Simonpietro, Cannas, Marco, Giannazzo, Filippo |
| المساهمون: | Consiglio Nazionale delle Ricerche |
| المصدر: | physica status solidi (RRL) – Rapid Research Letters ; volume 17, issue 10 ; ISSN 1862-6254 1862-6270 |
| بيانات النشر: | Wiley |
| سنة النشر: | 2023 |
| المجموعة: | Wiley Online Library (Open Access Articles via Crossref) |
| الوصف: | The interface structure and electronic properties of monolayer (1L) MoS 2 domains grown by chemical vapor deposition on 4H–SiC(0001) are investigated by microscopic/spectroscopic analyses combined with ab initio calculations. The triangular domains are epitaxially oriented on the (0001) basal plane, with the presence of a van der Waals (vdW) gap between 1L–MoS 2 and the SiC terraces. The high crystalline quality of the domains is confirmed by photoluminescence emission. Furthermore, a very low tensile strain ( ε ≈ 0.03%) of 1L–MoS 2 , consistent with the small in‐plane lattice mismatch, and a p‐type doping of (0.45 ± 0.11) × 10 13 cm −2 , is evaluated by Raman mapping. Density functional theory (DFT) calculations of the MoS 2 /4H–SiC(0001) system are also performed, considering different levels of refinement of the model: 1) the simple case of the junction between Si‐terminated SiC and MoS 2 , showing a covalent bond between the Si–S atoms and n‐type doping of MoS 2 ; 2) the complete passivation of Si dangling bonds with a monolayer (1 ML) of oxygen atoms, resulting in a vdW bond with d Si–S ≈ 3.84 Å bond length and p‐type doping of MoS 2 ; and 3) partial (¼ ML and ½ ML) oxygen coverages of the 4H–SiC surface, resulting in intermediate values of d Si–S and doping behavior. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| DOI: | 10.1002/pssr.202300218 |
| الاتاحة: | http://dx.doi.org/10.1002/pssr.202300218 https://onlinelibrary.wiley.com/doi/pdf/10.1002/pssr.202300218 |
| Rights: | http://creativecommons.org/licenses/by/4.0/ |
| رقم الانضمام: | edsbas.D2DD36F8 |
| قاعدة البيانات: | BASE |
| DOI: | 10.1002/pssr.202300218 |
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