期刊
PHYSICAL REVIEW B
卷 84, 期 23, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.84.235426
关键词
-
资金
- European Science Foundation (ESF) under the EUROCORES
We present an orbital-resolved density functional theory study on the electronic properties of hydrogen and lithium intercalated graphene grown on the Si face of SiC. Starting from the (6 root 3 x 6 root 3) R30 degrees. surface reconstruction of the graphene/SiC heterosystem, we find that both H and Li can restore the ideal structural characteristics of the two nonequivalent junction parts (i.e., graphene and the SiC substrate) when inserted at the interface. However, the chemical and electrostatic interactions remain different for the two cases. Hence, H-intercalated epitaxial graphene is subject to a sublattice symmetry-breaking electronic interference that perturbs the Dirac point, whereas Li intercalation gives rise to a highly n-doped system due to a nonuniform delocalization of Li charges. Results bring to discussion the role of substrate engineering in epitaxial graphene on SiC.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据