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Lee, Geunsik
Electronic Structure and Transport in Condensed Materials
Research Interests
  • open quantum system, non-equilibrium electron transport
  • electron correlation, dynamical mean field theory
  • 2D materials, metal complexes

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First-principles study of metal-graphene interfaces

Cited 108 times inthomson ciCited 106 times inthomson ci
Title
First-principles study of metal-graphene interfaces
Other Titles
First-principles study of metal-graphene interfaces
Author
Gong, ChengLee, GeunsikShan, BinVogel, Eric M.Wallace, Robert M.Cho, Kyeongjae
Issue Date
2010-12
Publisher
AMER INST PHYSICS
Citation
JOURNAL OF APPLIED PHYSICS, v.108, no.12, pp.123711
Abstract
Metal-graphene contact is a key interface in graphene-based device applications, and it is known that two types of interfaces are formed between metal and graphene. In this paper, we apply first-principles calculations to twelve metal-graphene interfaces and investigate the detailed interface atomic and electronic structures of physisorption and chemisorption interfaces. For physisorption interfaces (Ag, Al, Cu, Cd, Ir, Pt, and Au), Fermi level pinning and Pauli-exclusion-induced energy-level shifts are shown to be two primary factors determining graphene's doping types and densities. For chemisorption interfaces (Ni, Co, Ru, Pd, and Ti), the combination of Pauli-exclusion-induced energy-level shifts and hybridized states' repulsive interactions lead to a band gap opening with metallic gap states. For practical applications, we show that external electric field can be used to modulate graphene's energy-levels and the corresponding control of doping or energy range of hybridization. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3524232
URI
https://scholarworks.unist.ac.kr/handle/201301/13273
URL
http://scitation.aip.org/content/aip/journal/jap/108/12/10.1063/1.3524232
DOI
10.1063/1.3524232
ISSN
0021-8979
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