Related papers: Sustained ferromagnetism induced by H-vacancies in…
We have systematically investigated the effect of oxidation on the structural and electronic properties of graphene based on first-principles calculations. Energetically favorable atomic configurations and building blocks are identified,…
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…
Orbital magnetism is studied for graphene flakes with various shapes and edge configurations using the tight-binding approximation. In the low-temperature regime where the thermal energy is much smaller than to the energy level spacing, the…
The electronic properties of graphene nano-flakes (GNFs) with different edge passivation is investigated by using density functional theory. Passivation with F and H atoms are considered: C$_{N_c}$ X$_{N_x}$ (X=F or H). We studied GNFs with…
Transport measurements have revealed several exotic electronic properties of graphene. The possibility to influence the electronic structure and hence control the conductivity by adsorption or doping with adatoms is crucial in view of…
We present the exact solution of a one-dimensional model of a spin-gapped correlated electron system with hybridization impurities exhibiting both magnetic and mixed-valence properties. The host supports superconducting fluctuations, with a…
A study of strongly curved graphene magnetization and magnetic susceptibility is carried out. Through a Dirac model complemented with a tight-binding model analysis, we are able to show that mechanical deformations solve the long-standing…
The stability of the magnetization in Lieb graphene quantum dots (GQD) against disorder is studied. Such systems exhibit the degenerate shell of edge states in the middle of the energy gap occupied by spin polarized electrons. Disorder…
The structure stability and electronic properties of edge carboxylated hexagonal and triangular graphene quantum dots are investigated by using density functional theory. The calculated binding energies show that the hexagonal clusters with…
We investigate the effects of homogeneous and inhomogeneous deformations and edge disorder on the conductance of gated graphene nanoribbons. Under increasing homogeneous strain the conductance of such devices initially decreases before it…
We have investigated by means of first principles calculations the structural and electronic properties of hydrogenated graphene structures with distinct grain boundary defects. Our total energy results reveal that the adsorption of a…
The emerging interest in van der Waals heterostructures as new materials for opto-electronics and photonics poses questions about their stability and structure-property relations. In the framework of density-functional and many-body…
Graphene is a material with potential applications in electric, thermal, and mechanical fields, and has seen significant advancements in growth methods that facilitate large-scale production. However, defects during growth and transfer to…
We have studied the effect of photoelectrons on defect formation in graphene during extreme ultraviolet (EUV) irradiation. Assuming the major role of these low energy electrons, we have mimicked the process by using low energy primary…
Ferromagnetism in the Hubbard model is investigated on sc, bcc, and fcc lattices using a systematic inverse-degeneracy ($1/{\cal N}$) expansion which incorporates self-energy and vertex corrections such that spin-rotation symmetry and the…
We study the electronic structure of graphene with a single substitutional vacancy using a combination of the density-functional, tight-binding, and impurity Green's function approaches. Density functional studies are performed with the…
Density-functional theory calculations with spin-polarized generalized gradient approximation and Hubbard $U$ correction is carried out to investigate the mechanical, structural, electronic and magnetic properties of graphitic heptazine…
A comprehensive theory is developed that describes the coexistence of p-wave, spin-triplet superconductivity and itinerant ferromagnetism. It is shown how to use field-theoretic techniques to derive both conventional strong-coupling theory,…
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…
Realizing controllable room-temperature ferromagnetism in carbon-based materials is one of recent prospects. The magnetism in graphene nanostructures reported previously is mostly formed near the vacancies, zigzag edges, or impurities by…