作者: I. Deretzis , A. La Magna
DOI: 10.1007/978-3-642-20644-3_7
关键词: Graphene 、 Density functional theory 、 Materials science 、 Epitaxial graphene 、 Condensed matter physics 、 Surface reconstruction 、 Local-density approximation 、 Bar (unit) 、 Quantum Hall effect 、 Sic substrate
摘要: We use the local density approximation of functional theory to perform a comparative analysis between bonding interactions epitaxial graphene/SiC interface in case Si and C face growth [i.e. on SiC(0001) \(\hbox{SiC}(000\bar{1})\) surfaces respectively]. argue that when SiC substrate below graphene films reconstructs with no additional adatoms, observed electronic differences are outcome an interplay \(sp^2\) \(sp^3\) hybridization atoms. find strong preferential disposition towards for face, whereas scheme face. Notwithstanding purely quantitative, this mismatch is important reflects strength \(\pi\) bond C.