期刊
MATERIALS RESEARCH EXPRESS
卷 1, 期 3, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/2053-1591/1/3/035603
关键词
electronic structure of graphene; graphene-metal interfaces; origin of band gap formation; density functional theory
资金
- German Research Foundation (DFG) [VO1711/3-1]
This manuscript presents the general approach to the understanding of the connection between bonding mechanism and electronic structure of graphene on metals. To demonstrate its validity, two limiting cases of 'weakly' and 'strongly' bonded graphene on Al(111) and Ni(111) are considered, where the Dirac cone is preserved or fully destroyed, respectively. Furthermore, the electronic structure, i.e. doping level, hybridization effects, as well as a gap formation at the Dirac point of the intermediate system, graphene/Cu(111), is fully understood in the framework of the proposed approach. This work summarises the long-term debates regarding connection of the bonding strength and the valence band modification in the graphene/metal systems and paves a way for the effective control of the electronic states of graphene in the vicinity of the Fermi level.
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