TY - JOUR
T1 - Fluorinated monovacancies in graphene: Even-odd effect
AU - Kaloni, Thaneshwor P.
AU - Cheng, Yingchun
AU - Schwingenschlögl, Udo
N1 - KAUST Repository Item: Exported on 2020-10-01
PY - 2012/11/12
Y1 - 2012/11/12
N2 - The electronic and structural properties of fluorinated monovacancies in graphene are studied using density functional theory. Our calculations show that an odd number of F atoms adsorbed on a monovacancy gives rise to a p-type metallic state with a local magnetic moment of 1μ B. In contrast, an even number of F atoms leads to a non-magnetic semiconducting state. We explain the behaviour in terms of local structure properties. © Copyright EPLA, 2012.
AB - The electronic and structural properties of fluorinated monovacancies in graphene are studied using density functional theory. Our calculations show that an odd number of F atoms adsorbed on a monovacancy gives rise to a p-type metallic state with a local magnetic moment of 1μ B. In contrast, an even number of F atoms leads to a non-magnetic semiconducting state. We explain the behaviour in terms of local structure properties. © Copyright EPLA, 2012.
UR - http://hdl.handle.net/10754/562397
UR - https://iopscience.iop.org/article/10.1209/0295-5075/100/37003
UR - http://www.scopus.com/inward/record.url?scp=84869201438&partnerID=8YFLogxK
U2 - 10.1209/0295-5075/100/37003
DO - 10.1209/0295-5075/100/37003
M3 - Article
SN - 0295-5075
VL - 100
SP - 37003
JO - EPL (Europhysics Letters)
JF - EPL (Europhysics Letters)
IS - 3
ER -