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Title: Al{sub 2}O{sub 3} as a suitable substrate and a dielectric layer for n-layer MoS{sub 2}

Sapphire (α-Al{sub 2}O{sub 3}) is a common substrate for the growth of single- to few-layer MoS{sub 2} films, and amorphous aluminium oxide serves as a high-κ dielectric gate oxide for MoS{sub 2} based transistors. Using density-functional theory calculations with a van der Waals functional, we investigate the structural, energetic, and electronic properties of n-layer MoS{sub 2} (n = 1and 3) on the α-Al{sub 2}O{sub 3} (0001) surface. Our results show that the sapphire stabilizes single-layer and tri-layer MoS{sub 2}, while having a negligible effect on the structure, band gap, and electron effective masses of MoS{sub 2}. This combination of a strong energetic stabilization and weak perturbation of the electronic properties shows that α-Al{sub 2}O{sub 3} can serve as an ideal substrate for depositing ultra-thin MoS{sub 2} layers and can also serve as a passivation or gate-oxide layer for MoS{sub 2} based devices.
Authors:
; ;  [1] ;  [2]
  1. Materials Science and Engineering Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States)
  2. Materials Science and Engineering, University of Florida, Gainesville, Florida 32611 (United States)
Publication Date:
OSTI Identifier:
22492697
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 107; Journal Issue: 5; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALUMINIUM OXIDES; CRYSTAL GROWTH; DENSITY FUNCTIONAL METHOD; DEPOSITS; DIELECTRIC MATERIALS; FILMS; LAYERS; MOLYBDENUM SULFIDES; PASSIVATION; SAPPHIRE; STABILIZATION; SUBSTRATES; SURFACES; TRANSISTORS; VAN DER WAALS FORCES