Related papers: Ferromagnetism in nitrogen doped graphene
Magnetism in two-dimensional materials is of great importance in discovering new physical phenomena and developing new devices at the nanoscale. In this paper, first-principles simulations are used to calculate the electronic and magnetic…
The phase diagram of graphene decorated with magnetic adatoms distributed either on a single sublattice, or evenly over the two sublattices, is computed for adatom concentrations as low as $\sim1\%$. Within the framework of the $s$-$d$…
Defects intentionally introduced into magnetic materials often have a profound effect on the physical properties. Specifically tailored neutron spectroscopic experiments can provide detailed information on both the local exchange…
Interaction between adsorbed atoms in graphene is studied using a combination of DFT and the path integral formalism. Our results reveal a complex non-monotonic interaction profile. We show that the strength and sign of the interaction are…
Graphene's exceptional mechanical properties are crucial for its integration into advanced technological applications. However, real-world synthesis and functionalization processes introduce structural modifications that can compromise its…
The electronic configurations of Fe, Co, Ni, and Cu adatoms on graphene and graphite have been studied by x-ray magnetic circular dichroism and charge transfer multiplet theory. A delicate interplay between long-range interactions and local…
Graphitic nitrogen-doped graphene is an excellent platform to study scattering processes of massless Dirac fermions by charged impurities, in which high mobility can be preserved due to the absence of lattice defects through direct…
We analyze the electronic properties of adatom doped graphene in the low impurity concentration regime. We focus on the Anderson localized regime and calculate the localization length ($\xi$) as a function of the electron doping and an…
Revealing how heteroatom doping alters the local electronic structure of graphene is crucial for understanding and controlling its functional properties. In this study, we combine density functional theory (DFT) and machine learning (ML) to…
The magnetic and electrical properties of nitrogen doped diamond system have been studied within the framework of a density functional theoretical approach. Spin-polarised calculations reveal that only the nitrogen doped system with…
We investigate the interactions between two identical magnetic impurities substituted into a graphene superlattice. Using a first-principles approach, we calculate the electronic and magnetic properties for transition-metal substituted…
We show that, in graphene with a small concentration of adatoms, the total magnetic moment $\mu_T$ can be switched on and off by varying the Fermi energy $E_F$, either by applying a gate voltage or by suitable chemical doping. Our…
Topological insulators doped with magnetic impurities has become a promising candidate for Quantum Anomalous Hall Effect (QAHE) in the dilute doping limit. The crucial factor in realizing the QAHE in these systems is the spontaneous…
We model boron and nitrogen doped/codoped monolayer graphene to study its stability, interaction energy, electronic and thermal properties using density functional theory. It is found that a doped graphene sheet with non-bonded B or N atoms…
The role of various magnetic inter-chain couplings has been investigated recently by numerical methods in doped frustrated quantum spin chains. A non-magnetic dopant introduced in a gapped spin chain releases a free spin-1/2 soliton. The…
We study the effects that ripples induce on the electrical and magnetic properties of graphene. The variation of the interatomic distance created by the ripples translates in a modulation of the hopping parameter between carbon atoms. A…
In this study, we investigate the isolated magnetic interactions between two identical Fe atoms divacantly-substituted into graphene. Using density functional theory, we simulated the electronic and magnetic properties for a supercell of…
Understanding ferromagnetism mechanism in doped Mott insulators on frustrated lattices remains challenging at intermediate coupling and finite doping. Here, we study the itinerant ferromagnetism and propose its mechanism in doped Mott…
We examine the conditions necessary for the presence of localized magnetic moments on adatoms with inner shell electrons in graphene. We show that the low density of states at the Dirac point, and the anomalous broadening of the adatom…
The diamagnetism of confined Dirac fermions submitted to a uniform magnetic field in disordered graphene is investigated. The solutions of the energy spectrum are used to discuss the orbital magnetism from a statistical mechanical point of…