Related papers: Defect-induced ferromagnetism in fullerenes
It is shown that a strong impurity potential induces short-range antiferromagnetic (ferrimagnetic) order around itself in a Hubbard model on a half-filled honeycomb lattice. This implies that short-range magnetic order is induced in…
Two-dimensional carbon, or graphene, is a semi-metal that presents unusual low-energy electronic excitations described in terms of Dirac fermions. We analyze in a self-consistent way the effects of localized (impurities or vacancies) and…
The problem of ferromagnetism -- associated with a ground state with maximal total spin -- is discussed in the framework of a hard-core model, which forbids the occupancy at each site with more than one particle. It is shown that the…
Although ferromagnets are found in all kinds of technological applications, only few substances are known to be intrinsically ferromagnetic at room temperature. In the past twenty years, a plethora of new artificial ferromagnetic materials…
We present an ab initio study on the structural and electronic distortions of modified graphene by creation of vacancies, inclusion of boron atoms, and the coexistence of both, by means of thermodynamics and band structure calculations. In…
Shapes and energies of icosahedral fullerenes are studied on an atomically detailed level. The numerical results based on the effective binary carbon-carbon potential are related to the theory of elasticity of crystalline membranes with…
We study ferromagnetism at high density of neutrons in the QCD hadron phase, by using the simplest chiral effective model incorporating magnetic fields and the chiral anomaly. Under the assumption of spatial homogeneity, we calculate the…
Together with the second generation REBO reactive potential, replica-exchange molecular dynamics simulations coupled with systematic quenching were used to generate a broad set of isomers for neutral C$_n$ clusters with $n=24$, 42, and 60.…
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…
Fine powders of micron- and submicron-sized particles of undoped Cu2O semiconductor, with three different sizes and morphologies have been synthesized by different chemical processes. These samples include nanospheres 200 nm in diameter,…
Using a newly developed quantum Monte Carlo technique, we provide strong evidence for the stability of a saturated ferromagnetic phase in the high-density regime of the two-dimensional infinite-U Hubbard model. By decreasing the electron…
The arguments supporting the existence of the intrinsic magnetism in carbon-based materials including pure graphene were analyzed critically together with the numerous experimental evidences denying the magnetism in these materials. The…
We have carried out ab initio electronic structure calculations on graphane (hydrogenated graphene) with single and double vacancy defects. Our analysis of the density of states reveal that such vacancies induce the mid gap states and…
The departure from perfect spherical symmetry in the case of fullerenes, C60 being the sole exception, induces instabilities due to the stresses generated by the pentagonal protrusions in the sigma-bonded surfaces. By assuming sigma and pi…
The magnetic properties of black phosphorene nanoribbons are investigated using static and dynamical mean-field theory. Besides confirming the existence of ferromagnetic/antiferromagnetic edge magnetism, our detailed calculations using…
Motivated by the first experimental evidence of ferromagnetic behavior in a three-dimensional ultracold atomic gas, we explore the possibility of itinerant ferromagnetism in a trapped two-dimensional atomic gas. Firstly, we develop a…
A theoretical study proposes the atomic configuration of electron-beam irradiated C$_{60}$ thin films. We examined the electronic structure and electron-transport properties of the C$_{60}$ clusters using density-functional calculations and…
The magnetic properties of disordered graphene and irradiated graphite are systematically studied using a combination of mean-field Hubbard model and first-principles calculations. By considering large-scale disordered models of graphene, I…
Inducing a robust long-range magnetic order in diamagnetic graphene remains a challenge. While nitrogen-doped graphene is reported to be a promising candidate, the corresponding exchange mechanism endures unclear and is essential to tune…
The structural, electronic, and magnetic properties of Gd@C_82 endohedral metallofullerene have been studied by employing on-site correlation corrected, scalar-relativistic and full-relativistic density functional theory within the local…