Modelling magnetism of C at O and B monovacancies in graphene
arXiv:1311.3253 · doi:10.1016/j.carbon.2013.07.062
Abstract
The presence of defects can introduce important changes in the electronic structure of graphene, leading to phenomena such as C magnetism. In addition, vacancies are reactive and permit the incorporation of dopants. This paper discusses the electronic properties of defective graphene for O and B decoration. Phonon calculations allow us to address directly the stability of the systems under study. We show that it is possible to obtain magnetic solutions with and without dangling bonds, demonstrating that C magnetism can be achieved in the presence of B and O.
11 pages, 4 figures, and 1 Table
References in corpus (7)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- The electronic properties of graphene
- Induced Magnetic Ordering by Proton Irradiation in Graphite
- Room-temperature ferromagnetism in graphite driven by 2D networks of point defects
- Structural and Electronic Properties of Oxidized Graphene
- A critical analysis of vacancy-induced magnetism in mono and bilayer graphene
- Induced magnetism in transition metal intercalated graphitic systems
Cited by in corpus (6)
- Large Enhancement and Tunable Band Gap in Silicene by Small Organic Molecule Adsorption
- Band gap tunning in BN-doped graphene systems with high carrier mobility
- Band gap modulation in polythiophene and polypyrrole-based systems
- Substrate enhanced superconductivity in Li-decorated graphene
- Topological phase in oxidized zigzag stanene nanoribbons
- Structure stability and magnetism in graphene impurity complexes with embedded V and Nb atoms