title: Incorporating isolated molybdenum (Mo) atoms into bilayer epitaxial graphene on 4H-SiC(0001).
abstract: The atomic structures and electronic properties of isolated Mo atoms in bilayer epitaxial graphene (BLEG) on 4H-SiC(0001) are investigated by low temperature scanning tunneling microscopy (LT-STM). LT-STM results reveal that isolated Mo dopants prefer to substitute C atoms at α-sites and preferentially locate between the graphene bilayers. First-principles calculations confirm that the embedding of single Mo dopants within BLEG is energetically favorable as compared to monolayer graphene. The calculated band structures show that Mo-incorporated BLEG is n-doped, and each Mo atom introduces a local magnetic moment of 1.81 μB into BLEG. Our findings demonstrate a simple and stable method to incorporate single transition metal dopants into the graphene lattice to tune its electronic and magnetic properties for possible use in graphene spin devices.
authors.affiliation: Institute of Super-microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, The Central South University , Changsha, Hunan 410083, PR China.
authors.forename: Wen
authors.initials: W
authors.lastname: Wan
authors.forename: Hui
authors.initials: H
authors.lastname: Li
authors.forename: Han
authors.initials: H
authors.lastname: Huang
authors.forename: Swee Liang
authors.initials: SL
authors.lastname: Wong
authors.forename: Lu
authors.initials: L
authors.lastname: Lv
authors.forename: Yongli
authors.initials: Y
authors.lastname: Gao
authors.forename: Andrew Thye Shen
authors.initials: AT
authors.lastname: Wee