Related papers: Defect-induced ferromagnetism in fullerenes
Development of new greenhouse gas scavengers is actively pursued nowadays. Volatility caused solvent consumption and significant regeneration costs associated with the aqueous amine solutions motivate search for more technologically and…
Ab initio electronic structure calculations show that the recently identified quasi-two-dimensional electride Y$_2$C is a weak itinerant ferromagnet or at least close to a ferromagnetic instability. The ferromagnetism is induced by the…
The formation energy and local magnetic moment of a series of point defects in CaB$_6 $ are computed using a supercell approach within the generalized gradient approximation to density functional theory. Based on these results, speculations…
Magnetism of fullerene C60 was studied by three methods of the density functional theory (DFT) calculation, laboratory experiment and astronomical observation. DFT revealed that the most stable spin state was non-magnetic one of Sz=0/2.…
Void-defect is a possible origin of ferromagnetic feature on pure carbon materials. In our previous paper, void-defect on graphene-nanoribbon show highly polarized spin configuration. In this paper, we studied cases for graphene molecules…
We have studied crystal structure, magnetism and electric transport properties of a europium fulleride Eu6C60 and its Sr-substituted compounds, Eu6-xSrxC60. They have a bcc structure, which is an isostructure of other M6C60 (M represents an…
We compute the phase diagram of a biased graphene bilayer. The existence of a ferromagnetic phase is discussed with respect both to carrier density and temperature. We find that the ferromagnetic transition is first order, lowering the…
The electronic and magnetic properties of graphane with H-vacancies are investigated with the help of quantum-chemistry methods. The hybridization of the edges is found to be absolutely crucial in defining the size of the bandgap, which is…
In this paper we use ab initio density functional theory (DFT) to calculate the electronic properties of C_50Cl_10. In comparison with the unstable C_50 which has a small t_lu(LUMO) - h_u(HOMO) energy gap and a high total free energy…
The current status of research on the carrier-mediated ferromagnetism in tetrahedrally coordinated semiconductors is briefly reviewed. The experimental results for III-V semiconductors, where Mn atoms introduce both spins and holes, are…
We discuss different magnetic phenomena observed in carbon-based structures, in particular the diamagnetism, paramagnetism and ferromagnetism observed in graphite, disordered carbon, fullerenes and irradiated carbon structures.
The changes in magnetic properties of Ce(Fe0.9Co0.1)2 compound with increasing disorder are discussed in the paper. Homogeneous alloys are known to undergo the phase transition from ferromagnetic to antiferromagnetic state accompanied by…
We report anomalous quantum transport features in bilayer graphene in presence of a random distribution of structural vacancies. By using an efficient real-space Kubo-Greenwood transport methodology, the impact of a varying density of dimer…
The current status and prospects of research on ferromagnetism in semiconductors are reviewed. The question of the origin of ferromagnetism in europium chalcogenides, chromium spinels and, particularly, in diluted magnetic semiconductors is…
A mechanism of the high temperature ferromagnetism in polymerized fullerenes is suggested. It is assumed that some of the C$_{60}$ molecules in the crystal become magnetically active due to spin and charge transfer from the paramagnetic…
Whether spin-independent Coulomb interaction can be the origin of a realistic ferromagnetism in an itinerant electron system has been an open problem for a long time. Here we study a class of Hubbard models on decorated lattices, which have…
Defect-induced ferromagnetism has triggered a lot of investigations and controversies. The major issue is that the induced ferromagnetic signal is so weak that it can sufficiently be accounted for by trace contamination. To resolve this…
We design antiferromagnetic spin-1/2 chains in fullerene nanoribbons by introducing extra C$_{60}$ cages at one of their edges. The resulting odd number of intermolecular bonds induces an unpaired $\pi$-electron and hence a quantised…
133Cs and 13C-NMR have been used to study the electronic properties of the polymerized phase of CsC60 at ambient and under hydrostatic pressure. The salient result of this study is the finding of fluctuations in the local field at 133Cs…
Contrary to prior calculations, the Ni-rich ordered structures of the Cr-Ni alloy system are found to be antiferromagnetic under semi-local density-functional theory. The optimization of local magnetic moments significantly increases the…