Ab initio study of graphene on SiC

被引:449
作者
Mattausch, Alexander [1 ]
Pankratov, Oleg [1 ]
机构
[1] Univ Erlangen Nurnberg, Theoret Festkorperphys, D-91058 Erlangen, Germany
关键词
D O I
10.1103/PhysRevLett.99.076802
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Employing density-functional calculations we study single and double graphene layers on Si- and C-terminated 1x1-6H-SiC surfaces. We show that, in contrast with earlier assumptions, the first carbon layer is covalently bonded to the substrate and cannot be responsible for the graphene-type electronic spectrum observed experimentally. The characteristic spectrum of freestanding graphene appears with the second carbon layer, which exhibits a weak van der Waals bonding to the underlying structure. For Si-terminated substrate, the interface is metallic, whereas on C face it is semiconducting or semimetallic for single or double graphene coverage, respectively.
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页数:4
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