Coverage-dependent magnetic and electronic properties of graphene with Co adatoms
نویسندگان
چکیده
Decorating two-dimensional (2D) materials with transition-metal adatoms is an effective way to bring about new physical properties that are intriguing for applications in electronics and spintronics devices. Here, we systematically studied the coverage-dependent magnetic electronic of graphene decorated by Co adatoms, based on first-principles calculations. We found if coverage larger than 1/3[Formula: see text]ML, atoms will aggregate form a monolayer then van der Waals bilayer system between forms. When [Formula: text][Formula: adatom spin-polarized spin moment varying from 1.1 1.4[Formula: text]. The text] orbitals hybridize significantly bands graphene, which generates series energy range text]eV 1[Formula: respect Dirac point graphene. In most cases, near Fermi level lead topological states characterized quantum anomalous Hall effect.
منابع مشابه
Magnetic properties and diffusion of adatoms on a graphene sheet.
We use ab initio methods to calculate the properties of adatom defects on a graphite surface. By applying a full spin-polarized description to the system we demonstrate that these defects have a magnetic moment of about 0.5micro(B) and also calculate its role in diffusion over the surface. The magnetic nature of these intrinsic carbon defects suggests that it is important to understand their ro...
متن کاملThe nature of bonding and electronic properties of graphene and benzene with iridium adatoms.
Recent theoretical simulations predicted that graphene decorated with Ir adatoms could realize a two-dimensional topological insulator with a substantial band gap. Our understanding of how the electronic properties of graphene change in the presence of metal adatoms is however still limited, as the binding is quite complex involving static and dynamic correlation effects together with relativis...
متن کاملSupplementary Information: The nature of bonding and electronic properties of graphene with iridium adatoms
The diagonalization algorithm in VASP, Davidson block iteration scheme, produced discontinuous potential energy curve and even diverged at some distances using standard settings in VASP, due to the multi-reference nature of the system (see manusript). We attempted to improve the convergence and we increased the width of the smearing σ , which determines how the partial occupancies are set for e...
متن کاملGraphene Nanoribbons: Geometric, Electronic, and Magnetic Properties
Graphene nanoribbons (GNRs) have one-dimensional structures with hexagonal twodimensional carbon lattices, which are stripes of graphene. Their structures and their electronic and magnetic properties have been intensively studied both experimentally and theoretically. Due to their various edge structures, GNRs present different electronic properties ranging from normal semiconductors to spin-po...
متن کاملinvestigation of the electronic properties of carbon and iii-v nanotubes
boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...
15 صفحه اولذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: International Journal of Modern Physics C
سال: 2021
ISSN: ['0129-1831', '1793-6586']
DOI: https://doi.org/10.1142/s0129183121501655