Tresca, C., Verbitskiy, N.I., Fedorov, A., Gruneis, A. and Profeta, G. (2017). Alloyed surfaces: new substrates for graphene growth. Surface Science, 665. pp. 28-31. ISSN 0039-6028

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Abstract

We report a systematic ab-initio density functional theory investigation of Ni(111) surface alloyed with elements of group IV (Si, Ge and Sn), demonstrating the possibility to use it to grow high quality graphene. Ni(111) surface represents an ideal substrate for graphene, due to its catalytic properties and perfect matching with the graphene lattice constant. However, Dirac bands of graphene growth on Ni(111) are completely destroyed due to the strong hybridization between carbon pz and Ni d orbitals. Group IV atoms, namely Si, Ge and Sn, once deposited on Ni(111) surface, form an ordered alloyed surface with √ 3 × √ 3-R30◦ reconstruction. We demonstrate that, at variance with the pure Ni(111) surface, alloyed surfaces effectively decouple graphene from the substrate, resulting unstrained due to the nearly perfect lattice matching and preserves linear Dirac bands without the strong hybridization with Ni d states. The proposed surfaces can be prepared before graphene growth without resorting on post-growth processes which necessarily alter the electronic and structural properties of graphene.

Item Type: Journal Article
Creators:
CreatorsEmailORCID
Tresca, C.UNSPECIFIEDUNSPECIFIED
Verbitskiy, N.I.UNSPECIFIEDUNSPECIFIED
Fedorov, A.UNSPECIFIEDUNSPECIFIED
Gruneis, A.UNSPECIFIEDUNSPECIFIED
Profeta, G.UNSPECIFIEDUNSPECIFIED
URN: urn:nbn:de:hbz:38-81569
DOI: 10.1016/j.susc.2017.08.002
Journal or Publication Title: Surface Science
Publisher: Elsevier
ISSN: 0039-6028
Volume: 665
Subjects: Natural sciences and mathematics
Physics
Faculty: Faculty of Mathematics and Natural Sciences
Divisions: Faculty of Mathematics and Natural Sciences > Institute of Physics II
Language: English
Date: 3 August 2017
Full Text Status: Public
Date Deposited: 28 Mar 2018 09:16
Funders: ERC grant no. 648589 ‘SUPER-2D’
Refereed: Yes
Status: Published
Page Range: pp. 28-31
URI: http://kups.ub.uni-koeln.de/id/eprint/8156

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