Journal
APPLIED PHYSICS LETTERS
Volume 107, Issue 5, Pages -Publisher
AIP Publishing
DOI: 10.1063/1.4928179
Keywords
-
Categories
Funding
- Material Genome Initiative
- Professional Research Experience Postdoctoral Fellowship [70NANB11H012]
- National Science Foundation [DMR-1056587, ACI-1440547, ACI-1053575]
- NIST [00095176]
- Texas Advanced Computing Center [TG-DMR050028N, TG-DMR140143, TG-DMR150006]
- Direct For Computer & Info Scie & Enginr
- Office of Advanced Cyberinfrastructure (OAC) [1440547] Funding Source: National Science Foundation
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [1542776] Funding Source: National Science Foundation
Ask authors/readers for more resources
Sapphire (alpha-Al2O3) is a common substrate for the growth of single-to few-layer MoS2 films, and amorphous aluminium oxide serves as a high-kappa dielectric gate oxide for MoS2 based transistors. Using density-functional theory calculations with a van der Waals functional, we investigate the structural, energetic, and electronic properties of n-layer MoS2 (n = 1 and 3) on the alpha-Al2O3 (0001) surface. Our results show that the sapphire stabilizes single-layer and tri-layer MoS2, while having a negligible effect on the structure, band gap, and electron effective masses of MoS2. This combination of a strong energetic stabilization and weak perturbation of the electronic properties shows that alpha-Al2O3 can serve as an ideal substrate for depositing ultra-thin MoS2 layers and can also serve as a passivation or gate-oxide layer for MoS2 based devices. (C) 2015 AIP Publishing LLC.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available