Ontology highlight
ABSTRACT:
SUBMITTER: Guo Q
PROVIDER: S-EPMC7729943 | biostudies-literature | 2020 Dec
REPOSITORIES: biostudies-literature
Scientific reports 20201210 1
The effect of Mn intercalation on the atomic, electronic and magnetic structure of the graphene/Cu(111) interface is studied using state-of-the-art density functional theory calculations. Different structural models of the graphene-Mn-Cu(111) interface are investigated. While a Mn monolayer placed between graphene and Cu(111) (an unfavorable configuration) yields massive rearrangement of the graphene-derived [Formula: see text] bands in the vicinity of the Fermi level, the possible formation of ...[more]