Title :
Graphene/Cu (111) interface study: The density functional theory calculations
Author :
Wang, Wenbo ; Liu, Yan ; Wang, Tao ; Sheng, Kuang ; Yu, Bin
Author_Institution :
Inst. of Microelectron. & Optoelectron., Zhejiang Univ., Hangzhou, China
Abstract :
Cu/graphene contact is the key interface for graphene- based devices. In the paper, first-principle calculations are used to investigate the detailed interface atomic and electronic structures and Mulliken charge populations of monolayer, bilayer, trilayer grapheme/Cu (111) interface. The Fermi level is pining by the Cu substrate and shifts due to the n-type doping of graphene.
Keywords :
Fermi level; ab initio calculations; copper; density functional theory; graphene; monolayers; multilayers; semiconductor doping; C-Cu; Cu substrate; Cu/graphene contact; Fermi level; Mulliken charge populations; atomic structures; bilayer; density functional theory; electronic structures; first-principle calculations; graphene-based devices; graphene/Cu(111) interface; monolayer; n-type doping; trilayer; Atomic layer deposition; Carbon; Copper; Lattices; Slabs; Substrates; Cu; graphene; interface;
Conference_Titel :
Electronics, Communications and Control (ICECC), 2011 International Conference on
Conference_Location :
Zhejiang
Print_ISBN :
978-1-4577-0320-1
DOI :
10.1109/ICECC.2011.6067884
