Magnetic Structure of Hydrogen Induced Defects on Graphene

Details Magnetic Structure of Hydrogen Induced Defects on Graphene Magnetic Structure of Hydrogen Induced Defects on Graphene

2011-12-12

arxiv.org/abs/1112.2529v1

Phys. Rev. B 85, 115405 (2012)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

10 pages, 10 figs

Scientific paper

10.1103/PhysRevB.85.115405

Using density functional theory (DFT), Hartree-Fock, exact diagonalization, and numerical renormalization group methods we study the electronic structure of diluted hydrogen atoms chemisorbed on graphene. A comparison between DFT and Hartree-Fock calculations allows us to identify the main characteristics of the magnetic structure of the defect. We use this information to formulate an Anderson-Hubbard model that captures the main physical ingredients of the system, while still allowing a rigorous treatment of the electronic correlations. We find that the large hydrogen-carbon hybridization puts the structure of the defect half-way between the one corresponding to an adatom weakly coupled to pristine graphene and a carbon vacancy. The impurity's magnetic moment leaks into the graphene layer where the electronic correlations on the C atoms play an important role in stabilizing the magnetic solution. Finally, we discuss the implications for the Kondo effect.

Affiliated with

Also associated with

No associations

Rating

Magnetic Structure of Hydrogen Induced Defects on Graphene does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Magnetic Structure of Hydrogen Induced Defects on Graphene, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Magnetic Structure of Hydrogen Induced Defects on Graphene will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-708835