The role of defects in graphene on the H-terminated SiC surface: Not quasi-free-standing any more

Carbon

Volumn 74, Issue , 2014, Pages 146-152

  Sławińska, Jagoda ^a,b   Cerdá, Jorge I ^b  

^a UNIVERSITY OF LODZ   (Poland)

^b INSTITUTO DE CIENCIA DE MATERIALES DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

GRAPHENE; PASSIVATION; POINT DEFECTS; SILICON CARBIDE;

C ATOMS; DEFECT CONCENTRATIONS; ELECTRONIC AND MAGNETIC PROPERTIES; SINGLE VACANCIES;

SURFACE DEFECTS;

EID: 84899487670     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2014.03.016     Document Type: Article

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47. The SiC substrate was omitted in these calculations while the graphene layer was assumed flat except for those atoms within 13 Å distance from the vacancy. In the region around the vacancy we employed the relaxed structure obtained for the (13 × 13) supercell including the SiC substrate (shown in Fig. 2a and d). The accuracy of the approach can be gauged by comparing the electronic structure in the central panels of Fig. 3 against their counterparts in Fig. 2.